4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide

C13H11F2N3OS — CID 25190406

IUPAC4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1snnc1C1CC1
InChIInChI=1S/C13H11F2N3OS/c14-9-2-1-3-10(15)8(9)6-16-13(19)12-11(7-4-5-7)17-18-20-12/h1-3,7H,4-6H2,(H,16,19)
InChIKeyKJDSWJUTKMRBGE-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.62
Rot. Bonds4

About 4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide

4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide (PubChem CID 25190406) has the molecular formula C13H11F2N3OS and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide
PubChem CID25190406
Molecular FormulaC13H11F2N3OS
Molecular Weight295.31 g/mol
Exact Mass295.06
IUPAC Name4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1snnc1C1CC1
InChIInChI=1S/C13H11F2N3OS/c14-9-2-1-3-10(15)8(9)6-16-13(19)12-11(7-4-5-7)17-18-20-12/h1-3,7H,4-6H2,(H,16,19)
InChIKeyKJDSWJUTKMRBGE-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide (CID 25190406) is 4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide is O=C(NCc1c(F)cccc1F)c1snnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide?
The InChIKey is KJDSWJUTKMRBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3OS/c14-9-2-1-3-10(15)8(9)6-16-13(19)12-11(7-4-5-7)17-18-20-12/h1-3,7H,4-6H2,(H,16,19).
What are the key properties of 4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide?
4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 25190406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).