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

C18H15ClN2OS — CID 19194885

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C18H15ClN2OS/c19-15-9-5-4-8-14(15)16-12-23-18(20-16)21-17(22)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,21,22)
InChIKeyNHTBMWXSYBYDEY-UHFFFAOYSA-N
MW342.85 g/mol
LogP5.03
Rot. Bonds5

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

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide (PubChem CID 19194885) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
PubChem CID19194885
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C18H15ClN2OS/c19-15-9-5-4-8-14(15)16-12-23-18(20-16)21-17(22)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,21,22)
InChIKeyNHTBMWXSYBYDEY-UHFFFAOYSA-N
XLogP5.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 78803762
7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide
CID 119676852
3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 19220952
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 78838502
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4830075
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196755
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 8702470
3-(3-chloro-4-methylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 18267524
(Z)-4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 46235790

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide (CID 19194885) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The InChIKey is NHTBMWXSYBYDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c19-15-9-5-4-8-14(15)16-12-23-18(20-16)21-17(22)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,21,22).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide has a molecular weight of 342.85 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 19194885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).