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

C11H11N3OS — CID 871225

IUPAC3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nncs1
InChIInChI=1S/C11H11N3OS/c15-10(13-11-14-12-8-16-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14,15)
InChIKeyYXNCZMRLZBQWNP-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.11
Rot. Bonds4

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

3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 871225) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID871225
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nncs1
InChIInChI=1S/C11H11N3OS/c15-10(13-11-14-12-8-16-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14,15)
InChIKeyYXNCZMRLZBQWNP-UHFFFAOYSA-N
XLogP2.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.11
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 3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 871225) is 3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide is O=C(CCc1ccccc1)Nc1nncs1.
What is the InChIKey of 3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is YXNCZMRLZBQWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c15-10(13-11-14-12-8-16-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14,15).
What are the key properties of 3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 233.30 g/mol, XLogP of 2.11, 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)propanamide is sourced from PubChem (CID 871225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).