(2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

C15H17ClN2OS — CID 46226337

IUPAC(2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(C)C[C@H](C(=O)Nc1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2OS/c1-10(2)9-13(11-3-5-12(16)6-4-11)14(19)18-15-17-7-8-20-15/h3-8,10,13H,9H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyYEBCFOPVPBTBPF-ZDUSSCGKSA-N
MW308.83 g/mol
LogP4.56
Rot. Bonds5

About (2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

(2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 46226337) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID46226337
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name(2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(C)C[C@H](C(=O)Nc1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2OS/c1-10(2)9-13(11-3-5-12(16)6-4-11)14(19)18-15-17-7-8-20-15/h3-8,10,13H,9H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyYEBCFOPVPBTBPF-ZDUSSCGKSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (CID 46226337) is (2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is CC(C)C[C@H](C(=O)Nc1nccs1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is YEBCFOPVPBTBPF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-10(2)9-13(11-3-5-12(16)6-4-11)14(19)18-15-17-7-8-20-15/h3-8,10,13H,9H2,1-2H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
(2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 308.83 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 46226337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).