1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide

C17H19ClN2OS — CID 55642429

IUPAC1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1(c2cccc(Cl)c2)CCCCC1)c1nccs1
InChIInChI=1S/C17H19ClN2OS/c1-20(16-19-10-11-22-16)15(21)17(8-3-2-4-9-17)13-6-5-7-14(18)12-13/h5-7,10-12H,2-4,8-9H2,1H3
InChIKeyQWLDCYYMADLCLR-UHFFFAOYSA-N
MW334.87 g/mol
LogP4.66
Rot. Bonds3

About 1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide

1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 55642429) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID55642429
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1(c2cccc(Cl)c2)CCCCC1)c1nccs1
InChIInChI=1S/C17H19ClN2OS/c1-20(16-19-10-11-22-16)15(21)17(8-3-2-4-9-17)13-6-5-7-14(18)12-13/h5-7,10-12H,2-4,8-9H2,1H3
InChIKeyQWLDCYYMADLCLR-UHFFFAOYSA-N
XLogP4.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723358
1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide
CID 56523181
1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 26365664
1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 78844552
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119553957
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide
CID 55920544
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 39466401
1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 112823691

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide (CID 55642429) is 1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide is CN(C(=O)C1(c2cccc(Cl)c2)CCCCC1)c1nccs1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is QWLDCYYMADLCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-20(16-19-10-11-22-16)15(21)17(8-3-2-4-9-17)13-6-5-7-14(18)12-13/h5-7,10-12H,2-4,8-9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 334.87 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55642429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).