N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide

C17H19ClN2OS — CID 1175967

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H19ClN2OS/c1-20(16(21)13-5-3-2-4-6-13)17-19-15(11-22-17)12-7-9-14(18)10-8-12/h7-11,13H,2-6H2,1H3
InChIKeyHWYDCXWWSSUVMD-UHFFFAOYSA-N
MW334.87 g/mol
LogP5.01
Rot. Bonds3

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide (PubChem CID 1175967) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide
PubChem CID1175967
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H19ClN2OS/c1-20(16(21)13-5-3-2-4-6-13)17-19-15(11-22-17)12-7-9-14(18)10-8-12/h7-11,13H,2-6H2,1H3
InChIKeyHWYDCXWWSSUVMD-UHFFFAOYSA-N
XLogP5.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.87
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-cyanoamino]cyclobutane-1-carboxamide
CID 155622165
N-[3-(diethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide;oxalic acid
CID 171667862
N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 5244733
[6-[2-[cyclohexanecarbonyl(methyl)amino]-1,3-thiazol-4-yl]pyrimidin-4-yl]-(2,2-difluoroethyl)azanium
CID 143467266
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 857450
[(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174594287
N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]propanamide
CID 810324
2-(4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]anilino)-N-cyclopropylbutanamide
CID 83281524
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide
CID 1444891
N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3173507
N-(3-methylphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 8892618
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 3342805

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide (CID 1175967) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide is CN(C(=O)C1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide?
The InChIKey is HWYDCXWWSSUVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-20(16(21)13-5-3-2-4-6-13)17-19-15(11-22-17)12-7-9-14(18)10-8-12/h7-11,13H,2-6H2,1H3.
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide has a molecular weight of 334.87 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 1175967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).