3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

C17H21N3O2S — CID 119713315

IUPAC3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)C2CCCC(N)C2)n1
InChIInChI=1S/C17H21N3O2S/c1-22-15-8-3-2-7-13(15)14-10-23-17(19-14)20-16(21)11-5-4-6-12(18)9-11/h2-3,7-8,10-12H,4-6,9,18H2,1H3,(H,19,20,21)
InChIKeyNYYWPEDJODAXSU-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.27
Rot. Bonds4

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

3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 119713315) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
PubChem CID119713315
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)C2CCCC(N)C2)n1
InChIInChI=1S/C17H21N3O2S/c1-22-15-8-3-2-7-13(15)14-10-23-17(19-14)20-16(21)11-5-4-6-12(18)9-11/h2-3,7-8,10-12H,4-6,9,18H2,1H3,(H,19,20,21)
InChIKeyNYYWPEDJODAXSU-UHFFFAOYSA-N
XLogP3.27
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119679930
3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119679929
3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride
CID 67184808
trans-(1S,3S)-3-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95859109
1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55660589
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylcyclohexyl)oxyacetamide
CID 86941565
N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 19712145
2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 12689382
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984295
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-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119690539

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (CID 119713315) is 3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is COc1ccccc1-c1csc(NC(=O)C2CCCC(N)C2)n1.
What is the InChIKey of 3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is NYYWPEDJODAXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-22-15-8-3-2-7-13(15)14-10-23-17(19-14)20-16(21)11-5-4-6-12(18)9-11/h2-3,7-8,10-12H,4-6,9,18H2,1H3,(H,19,20,21).
What are the key properties of 3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119713315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).