N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide

C13H12FN3OS — CID 1451549

IUPACN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C13H12FN3OS/c1-17(12(18)9-2-3-9)13-16-15-11(19-13)8-4-6-10(14)7-5-8/h4-7,9H,2-3H2,1H3
InChIKeyKVJHJCIJBYAKKA-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.72
Rot. Bonds3

About N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide

N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide (PubChem CID 1451549) has the molecular formula C13H12FN3OS and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide
PubChem CID1451549
Molecular FormulaC13H12FN3OS
Molecular Weight277.32 g/mol
Exact Mass277.07
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C13H12FN3OS/c1-17(12(18)9-2-3-9)13-16-15-11(19-13)8-4-6-10(14)7-5-8/h4-7,9H,2-3H2,1H3
InChIKeyKVJHJCIJBYAKKA-UHFFFAOYSA-N
XLogP2.72
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopentyl-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444816
1-[5-(4-Methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 46907692
N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 70685212
4-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 164619868
N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 753765
Cyclopropanecarboxylic acid (2-methoxy-ethyl)-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-amide
CID 653963
3-Methyl-but-2-enoic acid [5-(4-fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-amide
CID 1451428
N-(2-Methoxy-ethyl)-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 3212634
N-(2-methoxyethyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 3212635
2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080958
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 860507
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 1080965

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide (CID 1451549) is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)c1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is KVJHJCIJBYAKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3OS/c1-17(12(18)9-2-3-9)13-16-15-11(19-13)8-4-6-10(14)7-5-8/h4-7,9H,2-3H2,1H3.
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide?
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 1451549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).