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

C13H18FN3OS — CID 166239909

IUPAC4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide
SMILESO=C(NCC1CCC(F)CC1)c1snnc1C1CC1
InChIInChI=1S/C13H18FN3OS/c14-10-5-1-8(2-6-10)7-15-13(18)12-11(9-3-4-9)16-17-19-12/h8-10H,1-7H2,(H,15,18)
InChIKeyONKIMUUZYCDDEG-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.67
Rot. Bonds4

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

4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide (PubChem CID 166239909) has the molecular formula C13H18FN3OS and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide
PubChem CID166239909
Molecular FormulaC13H18FN3OS
Molecular Weight283.37 g/mol
Exact Mass283.12
IUPAC Name4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide
SMILESO=C(NCC1CCC(F)CC1)c1snnc1C1CC1
InChIInChI=1S/C13H18FN3OS/c14-10-5-1-8(2-6-10)7-15-13(18)12-11(9-3-4-9)16-17-19-12/h8-10H,1-7H2,(H,15,18)
InChIKeyONKIMUUZYCDDEG-UHFFFAOYSA-N
XLogP2.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide (CID 166239909) is 4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide is O=C(NCC1CCC(F)CC1)c1snnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide?
The InChIKey is ONKIMUUZYCDDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3OS/c14-10-5-1-8(2-6-10)7-15-13(18)12-11(9-3-4-9)16-17-19-12/h8-10H,1-7H2,(H,15,18).
What are the key properties of 4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide?
4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 166239909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).