N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide

C15H14FN3OS — CID 71943713

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)C1CC1c1ccccc1F
InChIInChI=1S/C15H14FN3OS/c16-12-4-2-1-3-9(12)10-7-11(10)13(20)17-15-19-18-14(21-15)8-5-6-8/h1-4,8,10-11H,5-7H2,(H,17,19,20)
InChIKeyAFVDQQJYFGYGKY-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.30
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 71943713) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID71943713
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)C1CC1c1ccccc1F
InChIInChI=1S/C15H14FN3OS/c16-12-4-2-1-3-9(12)10-7-11(10)13(20)17-15-19-18-14(21-15)8-5-6-8/h1-4,8,10-11H,5-7H2,(H,17,19,20)
InChIKeyAFVDQQJYFGYGKY-UHFFFAOYSA-N
XLogP3.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 71943713) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1nnc(C2CC2)s1)C1CC1c1ccccc1F.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is AFVDQQJYFGYGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c16-12-4-2-1-3-9(12)10-7-11(10)13(20)17-15-19-18-14(21-15)8-5-6-8/h1-4,8,10-11H,5-7H2,(H,17,19,20).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71943713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).