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

C19H17ClN2OS — CID 40538784

IUPAC(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1
InChIInChI=1S/C19H17ClN2OS/c1-2-16(13-6-4-3-5-7-13)18(23)22-19-21-17(12-24-19)14-8-10-15(20)11-9-14/h3-12,16H,2H2,1H3,(H,21,22,23)/t16-/m1/s1
InChIKeyXPBCDFDNYPRIDQ-MRXNPFEDSA-N
MW356.88 g/mol
LogP5.60
Rot. Bonds5

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

(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide (PubChem CID 40538784) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is (2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
PubChem CID40538784
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1
InChIInChI=1S/C19H17ClN2OS/c1-2-16(13-6-4-3-5-7-13)18(23)22-19-21-17(12-24-19)14-8-10-15(20)11-9-14/h3-12,16H,2H2,1H3,(H,21,22,23)/t16-/m1/s1
InChIKeyXPBCDFDNYPRIDQ-MRXNPFEDSA-N
XLogP5.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.88
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 1291176
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 5174437
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide
CID 35542167
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 64556453
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46305252
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 16850033
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[3-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18899185
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide (CID 40538784) is (2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1.
What is the InChIKey of (2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
The InChIKey is XPBCDFDNYPRIDQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-2-16(13-6-4-3-5-7-13)18(23)22-19-21-17(12-24-19)14-8-10-15(20)11-9-14/h3-12,16H,2H2,1H3,(H,21,22,23)/t16-/m1/s1.
What are the key properties of (2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide has a molecular weight of 356.88 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide is sourced from PubChem (CID 40538784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).