2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide

C16H17N5OS — CID 158318774

IUPAC2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1nc(C(=O)Nc2ncc(-c3ccccn3)[nH]2)cs1
InChIInChI=1S/C16H17N5OS/c1-16(2,3)14-19-12(9-23-14)13(22)21-15-18-8-11(20-15)10-6-4-5-7-17-10/h4-9H,1-3H3,(H2,18,20,21,22)
InChIKeyPVTQLQOPUXNGCS-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.48
Rot. Bonds3

About 2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide

2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 158318774) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID158318774
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1nc(C(=O)Nc2ncc(-c3ccccn3)[nH]2)cs1
InChIInChI=1S/C16H17N5OS/c1-16(2,3)14-19-12(9-23-14)13(22)21-15-18-8-11(20-15)10-6-4-5-7-17-10/h4-9H,1-3H3,(H2,18,20,21,22)
InChIKeyPVTQLQOPUXNGCS-UHFFFAOYSA-N
XLogP3.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48845320
2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide
CID 136513774
2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 164646931
2-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-2-ol
CID 116881427
N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110649811
2-(aminomethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 66377402
2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine
CID 116877273
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 56930905
N-(5-amino-6-chloro-3-pyridinyl)-2-tert-butyl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 170311651
N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846338
2-[1-[4-chloro-3-[1-oxo-1-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propan-2-yl]oxyphenyl]-2-methylpropan-2-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide
CID 129301553

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide (CID 158318774) is 2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide is CC(C)(C)c1nc(C(=O)Nc2ncc(-c3ccccn3)[nH]2)cs1.
What is the InChIKey of 2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PVTQLQOPUXNGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-16(2,3)14-19-12(9-23-14)13(22)21-15-18-8-11(20-15)10-6-4-5-7-17-10/h4-9H,1-3H3,(H2,18,20,21,22).
What are the key properties of 2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide?
2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158318774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).