4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide

C13H12FN3OS — CID 25189476

IUPAC4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1snnc1C1CC1
InChIInChI=1S/C13H12FN3OS/c14-10-4-2-1-3-9(10)7-15-13(18)12-11(8-5-6-8)16-17-19-12/h1-4,8H,5-7H2,(H,15,18)
InChIKeyRZHGSYGONJCONB-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.48
Rot. Bonds4

About 4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide

4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide (PubChem CID 25189476) has the molecular formula C13H12FN3OS and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
PubChem CID25189476
Molecular FormulaC13H12FN3OS
Molecular Weight277.32 g/mol
Exact Mass277.07
IUPAC Name4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1snnc1C1CC1
InChIInChI=1S/C13H12FN3OS/c14-10-4-2-1-3-9(10)7-15-13(18)12-11(8-5-6-8)16-17-19-12/h1-4,8H,5-7H2,(H,15,18)
InChIKeyRZHGSYGONJCONB-UHFFFAOYSA-N
XLogP2.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide (CID 25189476) is 4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide is O=C(NCc1ccccc1F)c1snnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide?
The InChIKey is RZHGSYGONJCONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3OS/c14-10-4-2-1-3-9(10)7-15-13(18)12-11(8-5-6-8)16-17-19-12/h1-4,8H,5-7H2,(H,15,18).
What are the key properties of 4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide?
4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 25189476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).