3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide

C12H13N3OS — CID 3155175

IUPAC3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(CC(=O)Nc1nncs1)c1ccccc1
InChIInChI=1S/C12H13N3OS/c1-9(10-5-3-2-4-6-10)7-11(16)14-12-15-13-8-17-12/h2-6,8-9H,7H2,1H3,(H,14,15,16)
InChIKeyWTGIKFBKHNYLOG-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.67
Rot. Bonds4

About 3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide

3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 3155175) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
PubChem CID3155175
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(CC(=O)Nc1nncs1)c1ccccc1
InChIInChI=1S/C12H13N3OS/c1-9(10-5-3-2-4-6-10)7-11(16)14-12-15-13-8-17-12/h2-6,8-9H,7H2,1H3,(H,14,15,16)
InChIKeyWTGIKFBKHNYLOG-UHFFFAOYSA-N
XLogP2.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 1227914
(E)-3-(4-propan-2-ylphenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 898906
N-(1,3,4-Thiadiazol-2-yl)benzamide
CID 569548
2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 821620
2-phenyl-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]acetamide
CID 1395238
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3120394
3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 3158290
Methyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)acetate
CID 8438755
1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 976753
N-(2-methyltetrazol-5-yl)-2,2-diphenylacetamide
CID 662625
3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid
CID 647148
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 839901

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide (CID 3155175) is 3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide is CC(CC(=O)Nc1nncs1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is WTGIKFBKHNYLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9(10-5-3-2-4-6-10)7-11(16)14-12-15-13-8-17-12/h2-6,8-9H,7H2,1H3,(H,14,15,16).
What are the key properties of 3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 247.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 3155175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).