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

C12H13ClN4OS — CID 119745140

IUPAC3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCC(N)CC(=O)Nc1nnc(-c2ccccc2Cl)s1
InChIInChI=1S/C12H13ClN4OS/c1-7(14)6-10(18)15-12-17-16-11(19-12)8-4-2-3-5-9(8)13/h2-5,7H,6,14H2,1H3,(H,15,17,18)
InChIKeyRUJSVYPKBRUIKI-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.53
Rot. Bonds4

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

3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 119745140) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID119745140
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCC(N)CC(=O)Nc1nnc(-c2ccccc2Cl)s1
InChIInChI=1S/C12H13ClN4OS/c1-7(14)6-10(18)15-12-17-16-11(19-12)8-4-2-3-5-9(8)13/h2-5,7H,6,14H2,1H3,(H,15,17,18)
InChIKeyRUJSVYPKBRUIKI-UHFFFAOYSA-N
XLogP2.53
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119745133
(2S)-2-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide
CID 119745126
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(methylsulfamoyl)acetamide
CID 131963165
2,2,2-tribromo-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19256598
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
CID 754569
(2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide
CID 7121076
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
CID 119777277
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide
CID 19256771
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(cyanomethylsulfanyl)acetamide
CID 47382764
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 19256591
N-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 82176796

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 119745140) is 3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide is CC(N)CC(=O)Nc1nnc(-c2ccccc2Cl)s1.
What is the InChIKey of 3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is RUJSVYPKBRUIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-7(14)6-10(18)15-12-17-16-11(19-12)8-4-2-3-5-9(8)13/h2-5,7H,6,14H2,1H3,(H,15,17,18).
What are the key properties of 3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 296.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 119745140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).