N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide

C16H20N4OS — CID 90509772

IUPACN-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C16H20N4OS/c21-15(18-12-7-3-1-2-4-8-12)13-11-22-16(19-13)20-14-9-5-6-10-17-14/h5-6,9-12H,1-4,7-8H2,(H,18,21)(H,17,19,20)
InChIKeyKSWAMVBJHAQBGY-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.73
Rot. Bonds4

About N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide

N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90509772) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90509772
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C16H20N4OS/c21-15(18-12-7-3-1-2-4-8-12)13-11-22-16(19-13)20-14-9-5-6-10-17-14/h5-6,9-12H,1-4,7-8H2,(H,18,21)(H,17,19,20)
InChIKeyKSWAMVBJHAQBGY-UHFFFAOYSA-N
XLogP3.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509762
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 30860157
N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509763
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
N-[1-(4-bromo-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 146095737
2-(pyridin-2-ylamino)-N-quinolin-8-yl-1,3-thiazole-4-carboxamide
CID 90509900
N-cyclohexyl-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114168
1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 90509743
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 166210293
N-cyclohexyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955034

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide (CID 90509772) is N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide is O=C(NC1CCCCCC1)c1csc(Nc2ccccn2)n1.
What is the InChIKey of N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is KSWAMVBJHAQBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-15(18-12-7-3-1-2-4-8-12)13-11-22-16(19-13)20-14-9-5-6-10-17-14/h5-6,9-12H,1-4,7-8H2,(H,18,21)(H,17,19,20).
What are the key properties of N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90509772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).