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

C18H21ClN2OS — CID 3342805

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H21ClN2OS/c19-15-9-7-14(8-10-15)16-12-23-18(20-16)21-17(22)11-6-13-4-2-1-3-5-13/h7-10,12-13H,1-6,11H2,(H,20,21,22)
InChIKeyGBPIWVGYJAXPKV-UHFFFAOYSA-N
MW348.90 g/mol
LogP5.76
Rot. Bonds5

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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide (PubChem CID 3342805) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
PubChem CID3342805
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H21ClN2OS/c19-15-9-7-14(8-10-15)16-12-23-18(20-16)21-17(22)11-6-13-4-2-1-3-5-13/h7-10,12-13H,1-6,11H2,(H,20,21,22)
InChIKeyGBPIWVGYJAXPKV-UHFFFAOYSA-N
XLogP5.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.90
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 24634046
3-cyclohexyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995330
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 17282538
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
3-cyclohexyl-N-[4-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 21001957
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843932
3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23804517
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 24627169
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide
CID 97012450
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
2-(4-chlorophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1479323
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide (CID 3342805) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The InChIKey is GBPIWVGYJAXPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c19-15-9-7-14(8-10-15)16-12-23-18(20-16)21-17(22)11-6-13-4-2-1-3-5-13/h7-10,12-13H,1-6,11H2,(H,20,21,22).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide has a molecular weight of 348.90 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide is sourced from PubChem (CID 3342805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).