6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol

C96H94Cl6N16O13S6 — CID 161207585

IUPAC6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CC(O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CCN(C)C(=O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CN1CCN(C(=O)c2cn3c(CO)c(-c4ccc(Cl)cc4)nc3s2)CC1.O=C(c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1)N1CCOCC1.OCc1c(-c2ccc(Cl)cc2)nc2sc(C(O)C3CC3)cn12
InChIInChI=1S/C18H19ClN4O2S.C17H16ClN3O3S.C16H16ClN3O2S.C16H15ClN2O2S.C15H15ClN2O2S.C14H13ClN2O2S/c1-21-6-8-22(9-7-21)17(25)15-10-23-14(11-24)16(20-18(23)26-15)12-2-4-13(19)5-3-12;18-12-3-1-11(2-4-12)15-13(10-22)21-9-14(25-17(21)19-15)16(23)20-5-7-24-8-6-20;1-3-19(2)15(22)13-8-20-12(9-21)14(18-16(20)23-13)10-4-6-11(17)7-5-10;17-11-5-3-9(4-6-11)14-12(8-20)19-7-13(22-16(19)18-14)15(21)10-1-2-10;1-15(2,20)12-7-18-11(8-19)13(17-14(18)21-12)9-3-5-10(16)6-4-9;1-8(19)12-6-17-11(7-18)13(16-14(17)20-12)9-2-4-10(15)5-3-9/h2-5,10,24H,6-9,11H2,1H3;1-4,9,22H,5-8,10H2;4-8,21H,3,9H2,1-2H3;3-7,10,15,20-21H,1-2,8H2;3-7,19-20H,8H2,1-2H3;2-6,8,18-19H,7H2,1H3
InChIKeyUVUSXBCTDNDSDN-UHFFFAOYSA-N
MW2085.03 g/mol
LogP18.93
Rot. Bonds20

About 6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol

6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol (PubChem CID 161207585) has the molecular formula C96H94Cl6N16O13S6 and a molecular weight of 2085.03 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol
PubChem CID161207585
Molecular FormulaC96H94Cl6N16O13S6
Molecular Weight2085.03 g/mol
Exact Mass2080.36
IUPAC Name6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CC(O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CCN(C)C(=O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CN1CCN(C(=O)c2cn3c(CO)c(-c4ccc(Cl)cc4)nc3s2)CC1.O=C(c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1)N1CCOCC1.OCc1c(-c2ccc(Cl)cc2)nc2sc(C(O)C3CC3)cn12
InChIInChI=1S/C18H19ClN4O2S.C17H16ClN3O3S.C16H16ClN3O2S.C16H15ClN2O2S.C15H15ClN2O2S.C14H13ClN2O2S/c1-21-6-8-22(9-7-21)17(25)15-10-23-14(11-24)16(20-18(23)26-15)12-2-4-13(19)5-3-12;18-12-3-1-11(2-4-12)15-13(10-22)21-9-14(25-17(21)19-15)16(23)20-5-7-24-8-6-20;1-3-19(2)15(22)13-8-20-12(9-21)14(18-16(20)23-13)10-4-6-11(17)7-5-10;17-11-5-3-9(4-6-11)14-12(8-20)19-7-13(22-16(19)18-14)15(21)10-1-2-10;1-15(2,20)12-7-18-11(8-19)13(17-14(18)21-12)9-3-5-10(16)6-4-9;1-8(19)12-6-17-11(7-18)13(16-14(17)20-12)9-2-4-10(15)5-3-9/h2-5,10,24H,6-9,11H2,1H3;1-4,9,22H,5-8,10H2;4-8,21H,3,9H2,1-2H3;3-7,10,15,20-21H,1-2,8H2;3-7,19-20H,8H2,1-2H3;2-6,8,18-19H,7H2,1H3
InChIKeyUVUSXBCTDNDSDN-UHFFFAOYSA-N
XLogP18.93
TPSA359.27 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms137
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002085.03
LogP ≤ 518.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze 6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol?
The IUPAC name of 6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol (CID 161207585) is 6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol?
The canonical SMILES for 6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol is CC(C)(O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CC(O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CCN(C)C(=O)c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1.CN1CCN(C(=O)c2cn3c(CO)c(-c4ccc(Cl)cc4)nc3s2)CC1.O=C(c1cn2c(CO)c(-c3ccc(Cl)cc3)nc2s1)N1CCOCC1.OCc1c(-c2ccc(Cl)cc2)nc2sc(C(O)C3CC3)cn12.
What is the InChIKey of 6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol?
The InChIKey is UVUSXBCTDNDSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S.C17H16ClN3O3S.C16H16ClN3O2S.C16H15ClN2O2S.C15H15ClN2O2S.C14H13ClN2O2S/c1-21-6-8-22(9-7-21)17(25)15-10-23-14(11-24)16(20-18(23)26-15)12-2-4-13(19)5-3-12;18-12-3-1-11(2-4-12)15-13(10-22)21-9-14(25-17(21)19-15)16(23)20-5-7-24-8-6-20;1-3-19(2)15(22)13-8-20-12(9-21)14(18-16(20)23-13)10-4-6-11(17)7-5-10;17-11-5-3-9(4-6-11)14-12(8-20)19-7-13(22-16(19)18-14)15(21)10-1-2-10;1-15(2,20)12-7-18-11(8-19)13(17-14(18)21-12)9-3-5-10(16)6-4-9;1-8(19)12-6-17-11(7-18)13(16-14(17)20-12)9-2-4-10(15)5-3-9/h2-5,10,24H,6-9,11H2,1H3;1-4,9,22H,5-8,10H2;4-8,21H,3,9H2,1-2H3;3-7,10,15,20-21H,1-2,8H2;3-7,19-20H,8H2,1-2H3;2-6,8,18-19H,7H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol?
6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol has a molecular weight of 2085.03 g/mol, XLogP of 18.93, 20 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)-N-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-cyclopropylmethanol;1-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-morpholin-4-ylmethanone;2-[6-(4-chlorophenyl)-5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 161207585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).