N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide

C18H18ClN3O2S — CID 60584141

IUPACN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C3(C#N)CCCCC3)n2)cc1Cl
InChIInChI=1S/C18H18ClN3O2S/c1-24-15-6-5-12(9-13(15)19)14-10-25-17(21-14)22-16(23)18(11-20)7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22,23)
InChIKeyYYEJPKMAZJJSCJ-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.88
Rot. Bonds4

About N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide (PubChem CID 60584141) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide
PubChem CID60584141
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C3(C#N)CCCCC3)n2)cc1Cl
InChIInChI=1S/C18H18ClN3O2S/c1-24-15-6-5-12(9-13(15)19)14-10-25-17(21-14)22-16(23)18(11-20)7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22,23)
InChIKeyYYEJPKMAZJJSCJ-UHFFFAOYSA-N
XLogP4.88
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949
1-cyano-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 60584227
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16562173
4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119271809
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
(2S)-2-amino-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119272131
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 58609977
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 86780136
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide?
The IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide (CID 60584141) is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide is COc1ccc(-c2csc(NC(=O)C3(C#N)CCCCC3)n2)cc1Cl.
What is the InChIKey of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide?
The InChIKey is YYEJPKMAZJJSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-24-15-6-5-12(9-13(15)19)14-10-25-17(21-14)22-16(23)18(11-20)7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide?
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide is sourced from PubChem (CID 60584141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).