2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C16H17ClN4OS — CID 118264313

IUPAC2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sc(Cl)cn2c1C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H17ClN4OS/c1-10-14(21-9-13(17)23-16(21)19-10)15(22)18-8-11-4-6-12(7-5-11)20(2)3/h4-7,9H,8H2,1-3H3,(H,18,22)
InChIKeyDZONSAXPRFNTKK-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.35
Rot. Bonds4

About 2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 118264313) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID118264313
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC Name2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sc(Cl)cn2c1C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H17ClN4OS/c1-10-14(21-9-13(17)23-16(21)19-10)15(22)18-8-11-4-6-12(7-5-11)20(2)3/h4-7,9H,8H2,1-3H3,(H,18,22)
InChIKeyDZONSAXPRFNTKK-UHFFFAOYSA-N
XLogP3.35
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-methyl-N-[[4-(4-oxopiperidin-1-yl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 135194084
2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118267882
2-fluoro-6-methyl-N-[[4-(4-oxopiperidin-1-yl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 135193987
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443698
3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 26819882
N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264362
2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126710479
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 32755354
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 110467140
N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248894
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 118264313) is 2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sc(Cl)cn2c1C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is DZONSAXPRFNTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c1-10-14(21-9-13(17)23-16(21)19-10)15(22)18-8-11-4-6-12(7-5-11)20(2)3/h4-7,9H,8H2,1-3H3,(H,18,22).
What are the key properties of 2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 348.86 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118264313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).