N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C17H20ClN3OS — CID 119477613

IUPACN-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C17H20ClN3OS/c1-10-15(16(22)21-14-8-6-13(19)7-9-14)23-17(20-10)11-2-4-12(18)5-3-11/h2-5,13-14H,6-9,19H2,1H3,(H,21,22)
InChIKeyQTKVIWJLNBIHFJ-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.77
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 119477613) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID119477613
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C17H20ClN3OS/c1-10-15(16(22)21-14-8-6-13(19)7-9-14)23-17(20-10)11-2-4-12(18)5-3-11/h2-5,13-14H,6-9,19H2,1H3,(H,21,22)
InChIKeyQTKVIWJLNBIHFJ-UHFFFAOYSA-N
XLogP3.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119452782
2-(4-chlorophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47839047
N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119474665
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46660400
N-[2-(aminomethyl)cyclopentyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119603790
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 119477493
2-(4-chlorophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112804170
2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55893825
[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate
CID 3776917
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 29134816

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 119477613) is N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QTKVIWJLNBIHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-10-15(16(22)21-14-8-6-13(19)7-9-14)23-17(20-10)11-2-4-12(18)5-3-11/h2-5,13-14H,6-9,19H2,1H3,(H,21,22).
What are the key properties of N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 349.89 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119477613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).