N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide

C18H19ClN2OS — CID 142709519

IUPACN-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
SMILESCCc1sc(NC(=O)C2CC=CCC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2OS/c1-2-15-16(12-8-10-14(19)11-9-12)20-18(23-15)21-17(22)13-6-4-3-5-7-13/h3-4,8-11,13H,2,5-7H2,1H3,(H,20,21,22)
InChIKeyNJSBAJRSAMHFOV-UHFFFAOYSA-N
MW346.88 g/mol
LogP5.32
Rot. Bonds4

About N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide

N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 142709519) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
PubChem CID142709519
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC NameN-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
SMILESCCc1sc(NC(=O)C2CC=CCC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2OS/c1-2-15-16(12-8-10-14(19)11-9-12)20-18(23-15)21-17(22)13-6-4-3-5-7-13/h3-4,8-11,13H,2,5-7H2,1H3,(H,20,21,22)
InChIKeyNJSBAJRSAMHFOV-UHFFFAOYSA-N
XLogP5.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.88
LogP ≤ 55.32
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-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17119299
(1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 8780972
2-[[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]carbamoyl]cyclohex-2-ene-1-carboxylic acid
CID 174648570
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 19226447
cis-(1S,2R)-2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 7121338
cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 26291745
(1R,2S,3R,4R)-3-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98300704
N-(2-bromo-5-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 81272331
(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8780243
(1R)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 40972536
(2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120792360
1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291713

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide (CID 142709519) is N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide is CCc1sc(NC(=O)C2CC=CCC2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is NJSBAJRSAMHFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c1-2-15-16(12-8-10-14(19)11-9-12)20-18(23-15)21-17(22)13-6-4-3-5-7-13/h3-4,8-11,13H,2,5-7H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide?
N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 346.88 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 142709519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).