(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide

C17H18N2OS — CID 9166489

IUPAC(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)[C@@H]3CC=CCC3)c2)cs1
InChIInChI=1S/C17H18N2OS/c1-12-18-16(11-21-12)14-8-5-9-15(10-14)19-17(20)13-6-3-2-4-7-13/h2-3,5,8-11,13H,4,6-7H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyDMGZLHVMNZTRFK-CYBMUJFWSA-N
MW298.41 g/mol
LogP4.41
Rot. Bonds3

About (1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 9166489) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID9166489
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)[C@@H]3CC=CCC3)c2)cs1
InChIInChI=1S/C17H18N2OS/c1-12-18-16(11-21-12)14-8-5-9-15(10-14)19-17(20)13-6-3-2-4-7-13/h2-3,5,8-11,13H,4,6-7H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyDMGZLHVMNZTRFK-CYBMUJFWSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 120618174
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131909357
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 43707323
2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941008
(2S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270942
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270940
(1S)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 136733997
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519073
(3R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxo-1,4-thiazepane-3-carboxamide
CID 95986503
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785188
1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560521
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide (CID 9166489) is (1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide is Cc1nc(-c2cccc(NC(=O)[C@@H]3CC=CCC3)c2)cs1.
What is the InChIKey of (1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is DMGZLHVMNZTRFK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-18-16(11-21-12)14-8-5-9-15(10-14)19-17(20)13-6-3-2-4-7-13/h2-3,5,8-11,13H,4,6-7H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 9166489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).