2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide

C19H12FN5OS — CID 59805841

IUPAC2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C19H12FN5OS/c20-15-8-4-7-13(9-15)16-21-10-14(11-22-16)18(26)24-19-23-17(25-27-19)12-5-2-1-3-6-12/h1-11H,(H,23,24,25,26)
InChIKeyVUNSZMKLGCEMJY-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.05
Rot. Bonds4

About 2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide

2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide (PubChem CID 59805841) has the molecular formula C19H12FN5OS and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide
PubChem CID59805841
Molecular FormulaC19H12FN5OS
Molecular Weight377.40 g/mol
Exact Mass377.07
IUPAC Name2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C19H12FN5OS/c20-15-8-4-7-13(9-15)16-21-10-14(11-22-16)18(26)24-19-23-17(25-27-19)12-5-2-1-3-6-12/h1-11H,(H,23,24,25,26)
InChIKeyVUNSZMKLGCEMJY-UHFFFAOYSA-N
XLogP4.05
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide (CID 59805841) is 2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide is O=C(Nc1nc(-c2ccccc2)ns1)c1cnc(-c2cccc(F)c2)nc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide?
The InChIKey is VUNSZMKLGCEMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5OS/c20-15-8-4-7-13(9-15)16-21-10-14(11-22-16)18(26)24-19-23-17(25-27-19)12-5-2-1-3-6-12/h1-11H,(H,23,24,25,26).
What are the key properties of 2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide?
2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 59805841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).