2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide

C14H17ClN4OS — CID 119745197

IUPAC2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C14H17ClN4OS/c1-3-7-14(2,16)12(20)17-13-19-18-11(21-13)9-5-4-6-10(15)8-9/h4-6,8H,3,7,16H2,1-2H3,(H,17,19,20)
InChIKeyAUUJGKIKAUUACZ-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.31
Rot. Bonds5

About 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide

2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide (PubChem CID 119745197) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
PubChem CID119745197
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C14H17ClN4OS/c1-3-7-14(2,16)12(20)17-13-19-18-11(21-13)9-5-4-6-10(15)8-9/h4-6,8H,3,7,16H2,1-2H3,(H,17,19,20)
InChIKeyAUUJGKIKAUUACZ-UHFFFAOYSA-N
XLogP3.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119745185
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylamino)butanamide
CID 166218686
4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide
CID 120589978
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729813
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119745181
[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45265519
N-[(2S)-1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide
CID 92961246
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537951
5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 68801294
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[2-(4-fluorophenyl)acetyl]amino]-3-methylpentanamide
CID 3584275
(2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide
CID 93100701
5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 121006251

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide (CID 119745197) is 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1.
What is the InChIKey of 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide?
The InChIKey is AUUJGKIKAUUACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-3-7-14(2,16)12(20)17-13-19-18-11(21-13)9-5-4-6-10(15)8-9/h4-6,8H,3,7,16H2,1-2H3,(H,17,19,20).
What are the key properties of 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide?
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide has a molecular weight of 324.84 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide is sourced from PubChem (CID 119745197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).