3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride

C17H23ClN4O3S2 — CID 119694456

IUPAC3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C3CCCC(N)C3)n2)cc1.Cl
InChIInChI=1S/C17H22N4O3S2.ClH/c1-26(23,24)21-14-7-5-11(6-8-14)15-10-25-17(19-15)20-16(22)12-3-2-4-13(18)9-12;/h5-8,10,12-13,21H,2-4,9,18H2,1H3,(H,19,20,22);1H
InChIKeyHQYLSLQJAGLLTR-UHFFFAOYSA-N
MW430.98 g/mol
LogP3.06
Rot. Bonds5

About 3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119694456) has the molecular formula C17H23ClN4O3S2 and a molecular weight of 430.98 g/mol. Its IUPAC name is 3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119694456
Molecular FormulaC17H23ClN4O3S2
Molecular Weight430.98 g/mol
Exact Mass430.09
IUPAC Name3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C3CCCC(N)C3)n2)cc1.Cl
InChIInChI=1S/C17H22N4O3S2.ClH/c1-26(23,24)21-14-7-5-11(6-8-14)15-10-25-17(19-15)20-16(22)12-3-2-4-13(18)9-12;/h5-8,10,12-13,21H,2-4,9,18H2,1H3,(H,19,20,22);1H
InChIKeyHQYLSLQJAGLLTR-UHFFFAOYSA-N
XLogP3.06
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 9246518
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120552976
3-amino-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119711312
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 9246504
3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119735188
3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119713315
3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119785268
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1225742
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 18127329
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119694456) is 3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride is CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C3CCCC(N)C3)n2)cc1.Cl.
What is the InChIKey of 3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is HQYLSLQJAGLLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2.ClH/c1-26(23,24)21-14-7-5-11(6-8-14)15-10-25-17(19-15)20-16(22)12-3-2-4-13(18)9-12;/h5-8,10,12-13,21H,2-4,9,18H2,1H3,(H,19,20,22);1H.
What are the key properties of 3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 430.98 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119694456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).