2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide

C12H17ClN2OS — CID 91821812

IUPAC2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)NC1CCCCCC1
InChIInChI=1S/C12H17ClN2OS/c1-8-10(17-12(13)14-8)11(16)15-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,15,16)
InChIKeyGUXWNJCVPBBBHA-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.56
Rot. Bonds2

About 2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide

2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 91821812) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID91821812
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)NC1CCCCCC1
InChIInChI=1S/C12H17ClN2OS/c1-8-10(17-12(13)14-8)11(16)15-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,15,16)
InChIKeyGUXWNJCVPBBBHA-UHFFFAOYSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676616
N-cyclopentyl-2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 45495297
2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 82117272
5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479860
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43389612
N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661
N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365497
N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142092

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide (CID 91821812) is 2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cl)sc1C(=O)NC1CCCCCC1.
What is the InChIKey of 2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GUXWNJCVPBBBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-8-10(17-12(13)14-8)11(16)15-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide?
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91821812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).