2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide

C16H17ClN4OS — CID 47882821

IUPAC2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCc2cn3cc(Cl)ccc3n2)s1
InChIInChI=1S/C16H17ClN4OS/c1-16(2,3)15-19-7-12(23-15)14(22)18-6-11-9-21-8-10(17)4-5-13(21)20-11/h4-5,7-9H,6H2,1-3H3,(H,18,22)
InChIKeyMMGKEKSKPUXIGI-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.67
Rot. Bonds3

About 2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 47882821) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID47882821
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC Name2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCc2cn3cc(Cl)ccc3n2)s1
InChIInChI=1S/C16H17ClN4OS/c1-16(2,3)15-19-7-12(23-15)14(22)18-6-11-9-21-8-10(17)4-5-13(21)20-11/h4-5,7-9H,6H2,1-3H3,(H,18,22)
InChIKeyMMGKEKSKPUXIGI-UHFFFAOYSA-N
XLogP3.67
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutanamide
CID 47150050
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid
CID 43619667
5-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-fluorobenzamide
CID 86917632
2-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiophene-2,4-dicarboxamide
CID 86828762
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexanamide
CID 47151010
1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82723556
2-tert-butyl-1,3-thiazole-5-carbohydrazide
CID 82423621
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]aniline
CID 78912513
(2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
CID 47151007
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylethyl)urea
CID 47221365
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115625717
N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
CID 115625685

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 47882821) is 2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCc2cn3cc(Cl)ccc3n2)s1.
What is the InChIKey of 2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MMGKEKSKPUXIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c1-16(2,3)15-19-7-12(23-15)14(22)18-6-11-9-21-8-10(17)4-5-13(21)20-11/h4-5,7-9H,6H2,1-3H3,(H,18,22).
What are the key properties of 2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 348.86 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47882821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).