6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C18H18ClN3O2S — CID 45212982

IUPAC6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCC1CCCCO1)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C18H18ClN3O2S/c19-13-6-4-12(5-7-13)15-10-22-16(11-25-18(22)21-15)17(23)20-9-14-3-1-2-8-24-14/h4-7,10-11,14H,1-3,8-9H2,(H,20,23)
InChIKeyAQBHQFNGVRTMBL-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.02
Rot. Bonds4

About 6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 45212982) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID45212982
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCC1CCCCO1)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C18H18ClN3O2S/c19-13-6-4-12(5-7-13)15-10-22-16(11-25-18(22)21-15)17(23)20-9-14-3-1-2-8-24-14/h4-7,10-11,14H,1-3,8-9H2,(H,20,23)
InChIKeyAQBHQFNGVRTMBL-UHFFFAOYSA-N
XLogP4.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95199757
6-(4-chlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42520390
6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 26392831
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40509230
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 43981545
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40509231
6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 26401845
N-[[(2R)-oxolan-2-yl]methyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 27376986
4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide
CID 95096640
6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 25219646
2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3996689
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 45172039

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 45212982) is 6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NCC1CCCCO1)c1csc2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is AQBHQFNGVRTMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-13-6-4-12(5-7-13)15-10-22-16(11-25-18(22)21-15)17(23)20-9-14-3-1-2-8-24-14/h4-7,10-11,14H,1-3,8-9H2,(H,20,23).
What are the key properties of 6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 45212982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).