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

C12H13N3OS — CID 1086939

IUPAC4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESO=C(CCCc1ccccc1)Nc1nncs1
InChIInChI=1S/C12H13N3OS/c16-11(14-12-15-13-9-17-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,14,15,16)
InChIKeyZSILOPBPZUKWDC-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.50
Rot. Bonds5

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

4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 1086939) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
PubChem CID1086939
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESO=C(CCCc1ccccc1)Nc1nncs1
InChIInChI=1S/C12H13N3OS/c16-11(14-12-15-13-9-17-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,14,15,16)
InChIKeyZSILOPBPZUKWDC-UHFFFAOYSA-N
XLogP2.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfonamide deriv., 8
CID 44520906
N-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 1227914
2-(3-Phenylpropionylamino)-1,3,4-thiadiazole-5-sulfonamide
CID 54430554
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
(E)-2-cyano-3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 2374884
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3120394
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
2-phenyl-2-(phenylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 2862025
2-phenyl-N-[5-(2-sulfanylideneethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 57149559

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide (CID 1086939) is 4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide is O=C(CCCc1ccccc1)Nc1nncs1.
What is the InChIKey of 4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is ZSILOPBPZUKWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c16-11(14-12-15-13-9-17-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,14,15,16).
What are the key properties of 4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 247.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 1086939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).