(1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide

C18H20N2O2S — CID 8780972

IUPAC(1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)[C@H]3CC=CCC3)sc2C)cc1
InChIInChI=1S/C18H20N2O2S/c1-12-16(13-8-10-15(22-2)11-9-13)19-18(23-12)20-17(21)14-6-4-3-5-7-14/h3-4,8-11,14H,5-7H2,1-2H3,(H,19,20,21)/t14-/m0/s1
InChIKeyQSSFIAGDJGCEEE-AWEZNQCLSA-N
MW328.44 g/mol
LogP4.42
Rot. Bonds4

About (1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide

(1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 8780972) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
PubChem CID8780972
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)[C@H]3CC=CCC3)sc2C)cc1
InChIInChI=1S/C18H20N2O2S/c1-12-16(13-8-10-15(22-2)11-9-13)19-18(23-12)20-17(21)14-6-4-3-5-7-14/h3-4,8-11,14H,5-7H2,1-2H3,(H,19,20,21)/t14-/m0/s1
InChIKeyQSSFIAGDJGCEEE-AWEZNQCLSA-N
XLogP4.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 52536385
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 60563304
(2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 40620885
1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119677238
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 2677955
2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970422
N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 142709519
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16829217
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 32939841
(2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 119264683
6-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4217089

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide (CID 8780972) is (1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide is COc1ccc(-c2nc(NC(=O)[C@H]3CC=CCC3)sc2C)cc1.
What is the InChIKey of (1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is QSSFIAGDJGCEEE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12-16(13-8-10-15(22-2)11-9-13)19-18(23-12)20-17(21)14-6-4-3-5-7-14/h3-4,8-11,14H,5-7H2,1-2H3,(H,19,20,21)/t14-/m0/s1.
What are the key properties of (1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 8780972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).