4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide

C12H11N3OS — CID 2765918

IUPAC4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide
SMILESC=CCNC(=O)c1snnc1-c1ccccc1
InChIInChI=1S/C12H11N3OS/c1-2-8-13-12(16)11-10(14-15-17-11)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,13,16)
InChIKeyYUVSHPBYHGKZJB-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.12
Rot. Bonds4

About 4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide

4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide (PubChem CID 2765918) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide
PubChem CID2765918
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide
SMILESC=CCNC(=O)c1snnc1-c1ccccc1
InChIInChI=1S/C12H11N3OS/c1-2-8-13-12(16)11-10(14-15-17-11)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,13,16)
InChIKeyYUVSHPBYHGKZJB-UHFFFAOYSA-N
XLogP2.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Morpholino(4-phenyl-1,2,3-thiadiazol-5-yl)methanone
CID 2767921
N,N-dimethyl-4-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 2767922
4-Phenyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2776856
4-Phenylthiadiazole-5-carboxamide
CID 2804329
N-benzyl-N-isopropyl-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 2813487
4-methyl-N-(1-phenylethyl)-1,2,3-thiadiazole-5-carboxamide
CID 6916146
N-methyl-4-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 3715739
N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 6917368
N-[(2-chloro-6-fluorophenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 6917377
4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25189476
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide
CID 25190402
4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25190406

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide?
The IUPAC name of 4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide (CID 2765918) is 4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide?
The canonical SMILES for 4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide is C=CCNC(=O)c1snnc1-c1ccccc1.
What is the InChIKey of 4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide?
The InChIKey is YUVSHPBYHGKZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-2-8-13-12(16)11-10(14-15-17-11)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,13,16).
What are the key properties of 4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide?
4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide has a molecular weight of 245.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-prop-2-enylthiadiazole-5-carboxamide is sourced from PubChem (CID 2765918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).