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

C15H10FN3OS — CID 4222808

IUPACN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccccc2F)s1)c1ccccc1
InChIInChI=1S/C15H10FN3OS/c16-12-9-5-4-8-11(12)14-18-19-15(21-14)17-13(20)10-6-2-1-3-7-10/h1-9H,(H,17,19,20)
InChIKeyAPVVKSBTXXDQAK-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.60
Rot. Bonds3

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

N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 4222808) has the molecular formula C15H10FN3OS and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID4222808
Molecular FormulaC15H10FN3OS
Molecular Weight299.33 g/mol
Exact Mass299.05
IUPAC NameN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccccc2F)s1)c1ccccc1
InChIInChI=1S/C15H10FN3OS/c16-12-9-5-4-8-11(12)14-18-19-15(21-14)17-13(20)10-6-2-1-3-7-10/h1-9H,(H,17,19,20)
InChIKeyAPVVKSBTXXDQAK-UHFFFAOYSA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 808856
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 860502
4-fluoro-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3656618
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991331
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide
CID 156585106
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide
CID 12804212
N-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 15836222
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 86834917
N-[5-(2-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 163363704
5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 60576166

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 4222808) is N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccccc2F)s1)c1ccccc1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is APVVKSBTXXDQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3OS/c16-12-9-5-4-8-11(12)14-18-19-15(21-14)17-13(20)10-6-2-1-3-7-10/h1-9H,(H,17,19,20).
What are the key properties of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 299.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 4222808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).