2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide

C19H23ClN2OS — CID 39084543

IUPAC2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
SMILESO=C(Cc1csc(-c2ccc(Cl)cc2)n1)NC1CCCCCCC1
InChIInChI=1S/C19H23ClN2OS/c20-15-10-8-14(9-11-15)19-22-17(13-24-19)12-18(23)21-16-6-4-2-1-3-5-7-16/h8-11,13,16H,1-7,12H2,(H,21,23)
InChIKeyLHFIRJWULXAIKU-UHFFFAOYSA-N
MW362.93 g/mol
LogP5.24
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide

2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide (PubChem CID 39084543) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
PubChem CID39084543
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
SMILESO=C(Cc1csc(-c2ccc(Cl)cc2)n1)NC1CCCCCCC1
InChIInChI=1S/C19H23ClN2OS/c20-15-10-8-14(9-11-15)19-22-17(13-24-19)12-18(23)21-16-6-4-2-1-3-5-7-16/h8-11,13,16H,1-7,12H2,(H,21,23)
InChIKeyLHFIRJWULXAIKU-UHFFFAOYSA-N
XLogP5.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.93
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 135734499
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678603
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55512787
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
CID 9053665
2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide
CID 16899277
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 112816461

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide (CID 39084543) is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide is O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NC1CCCCCCC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide?
The InChIKey is LHFIRJWULXAIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c20-15-10-8-14(9-11-15)19-22-17(13-24-19)12-18(23)21-16-6-4-2-1-3-5-7-16/h8-11,13,16H,1-7,12H2,(H,21,23).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide?
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide has a molecular weight of 362.93 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide is sourced from PubChem (CID 39084543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).