(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide

C17H18N2OS — CID 9171281

IUPAC(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)[C@H]1CC=CCC1
InChIInChI=1S/C17H18N2OS/c20-16(14-9-5-2-6-10-14)19-17-18-12-15(21-17)11-13-7-3-1-4-8-13/h1-5,7-8,12,14H,6,9-11H2,(H,18,19,20)/t14-/m0/s1
InChIKeyDKLCLODHNRVVRW-AWEZNQCLSA-N
MW298.41 g/mol
LogP4.03
Rot. Bonds4

About (1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide

(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 9171281) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
PubChem CID9171281
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)[C@H]1CC=CCC1
InChIInChI=1S/C17H18N2OS/c20-16(14-9-5-2-6-10-14)19-17-18-12-15(21-17)11-13-7-3-1-4-8-13/h1-5,7-8,12,14H,6,9-11H2,(H,18,19,20)/t14-/m0/s1
InChIKeyDKLCLODHNRVVRW-AWEZNQCLSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.03
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

1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
N-(5-benzyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119270229
N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 118726195
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
CID 8916094
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
(1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 95402272
N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 46535713
N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide
CID 126767380
N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 126770563
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 16550294
N'-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]oxamide
CID 97257674
N-(5-benzyl-1,3-thiazol-2-yl)-4-cyclopentyl-1,4-diazepane-1-carboxamide
CID 126766658

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide (CID 9171281) is (1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide is O=C(Nc1ncc(Cc2ccccc2)s1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is DKLCLODHNRVVRW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-16(14-9-5-2-6-10-14)19-17-18-12-15(21-17)11-13-7-3-1-4-8-13/h1-5,7-8,12,14H,6,9-11H2,(H,18,19,20)/t14-/m0/s1.
What are the key properties of (1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide?
(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 9171281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).