N-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide

C11H10FN3OS — CID 850868

IUPACN-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1snnc1C
InChIInChI=1S/C11H10FN3OS/c1-6-3-4-8(12)5-9(6)13-11(16)10-7(2)14-15-17-10/h3-5H,1-2H3,(H,13,16)
InChIKeyJKDPDPXGAWFNOM-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.55
Rot. Bonds2

About N-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide

N-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 850868) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID850868
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1snnc1C
InChIInChI=1S/C11H10FN3OS/c1-6-3-4-8(12)5-9(6)13-11(16)10-7(2)14-15-17-10/h3-5H,1-2H3,(H,13,16)
InChIKeyJKDPDPXGAWFNOM-UHFFFAOYSA-N
XLogP2.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide (CID 850868) is N-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide is Cc1ccc(F)cc1NC(=O)c1snnc1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is JKDPDPXGAWFNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-6-3-4-8(12)5-9(6)13-11(16)10-7(2)14-15-17-10/h3-5H,1-2H3,(H,13,16).
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide?
N-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 850868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).