3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride

C18H24ClN3OS — CID 119772198

IUPAC3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H23N3OS.ClH/c1-12-16(23-18(21-12)13-6-3-2-4-7-13)11-20-17(22)14-8-5-9-15(19)10-14;/h2-4,6-7,14-15H,5,8-11,19H2,1H3,(H,20,22);1H
InChIKeyLJQOEOGKPPMBRN-UHFFFAOYSA-N
MW365.93 g/mol
LogP3.67
Rot. Bonds4

About 3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119772198) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is 3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119772198
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC Name3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H23N3OS.ClH/c1-12-16(23-18(21-12)13-6-3-2-4-7-13)11-20-17(22)14-8-5-9-15(19)10-14;/h2-4,6-7,14-15H,5,8-11,19H2,1H3,(H,20,22);1H
InChIKeyLJQOEOGKPPMBRN-UHFFFAOYSA-N
XLogP3.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988850
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1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119316972
cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 74246620
3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694410
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide
CID 90546468
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
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(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 119316963
3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119738339
3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119732512
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119772198) is 3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride is Cc1nc(-c2ccccc2)sc1CNC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is LJQOEOGKPPMBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS.ClH/c1-12-16(23-18(21-12)13-6-3-2-4-7-13)11-20-17(22)14-8-5-9-15(19)10-14;/h2-4,6-7,14-15H,5,8-11,19H2,1H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 365.93 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119772198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).