N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide

C11H15ClN2OS — CID 102637990

IUPACN-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1cscn1)C1CCCCC1Cl
InChIInChI=1S/C11H15ClN2OS/c1-14(10-5-3-2-4-8(10)12)11(15)9-6-16-7-13-9/h6-8,10H,2-5H2,1H3
InChIKeyNDILJYGWVBTDNM-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.77
Rot. Bonds2

About N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide

N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 102637990) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID102637990
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC NameN-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1cscn1)C1CCCCC1Cl
InChIInChI=1S/C11H15ClN2OS/c1-14(10-5-3-2-4-8(10)12)11(15)9-6-16-7-13-9/h6-8,10H,2-5H2,1H3
InChIKeyNDILJYGWVBTDNM-UHFFFAOYSA-N
XLogP2.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 63037212
N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 102638059
N-cyclopentyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 63037041
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide
CID 102637885
N-methyl-N-(oxan-4-yl)-1,3-thiazole-4-carboxamide
CID 63037211
N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 102638149
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide
CID 102638056
N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 102638182
N-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55218707
5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide
CID 106690219
N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102684545
N-(2-chlorocyclohexyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 102638117

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 102637990) is N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide is CN(C(=O)c1cscn1)C1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NDILJYGWVBTDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-14(10-5-3-2-4-8(10)12)11(15)9-6-16-7-13-9/h6-8,10H,2-5H2,1H3.
What are the key properties of N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide?
N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 258.77 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 102637990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).