(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide

C13H14ClN3OS — CID 29369661

IUPAC(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)[C@H](C(=O)Nc1nncs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3OS/c1-8(2)11(9-3-5-10(14)6-4-9)12(18)16-13-17-15-7-19-13/h3-8,11H,1-2H3,(H,16,17,18)/t11-/m0/s1
InChIKeySWKQKJXXXSNLND-NSHDSACASA-N
MW295.80 g/mol
LogP3.57
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide

(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 29369661) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide
PubChem CID29369661
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)[C@H](C(=O)Nc1nncs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3OS/c1-8(2)11(9-3-5-10(14)6-4-9)12(18)16-13-17-15-7-19-13/h3-8,11H,1-2H3,(H,16,17,18)/t11-/m0/s1
InChIKeySWKQKJXXXSNLND-NSHDSACASA-N
XLogP3.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71765040
2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 821620
2-(4-chlorophenyl)-N-(2-ethyl-2H-tetrazol-5-yl)acetamide
CID 965762
1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 976753
3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 871225
4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 1086939
2-(4-chlorophenyl)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 718901
3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155175
2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 647921
N-(2-butyl-2H-tetrazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 2219051
(S)-2-(4-chlorophenyl)-3-methyl-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
CID 36477073
2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 903149

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide (CID 29369661) is (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide is CC(C)[C@H](C(=O)Nc1nncs1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is SWKQKJXXXSNLND-NSHDSACASA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-8(2)11(9-3-5-10(14)6-4-9)12(18)16-13-17-15-7-19-13/h3-8,11H,1-2H3,(H,16,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 295.80 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 29369661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).