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

C10H8FN3OS — CID 47259789

IUPACN-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cnns1
InChIInChI=1S/C10H8FN3OS/c1-6-4-7(11)2-3-8(6)13-10(15)9-5-12-14-16-9/h2-5H,1H3,(H,13,15)
InChIKeyAPRCOGFDVGNXQY-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.24
Rot. Bonds2

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

N-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide (PubChem CID 47259789) has the molecular formula C10H8FN3OS and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide
PubChem CID47259789
Molecular FormulaC10H8FN3OS
Molecular Weight237.26 g/mol
Exact Mass237.04
IUPAC NameN-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cnns1
InChIInChI=1S/C10H8FN3OS/c1-6-4-7(11)2-3-8(6)13-10(15)9-5-12-14-16-9/h2-5H,1H3,(H,13,15)
InChIKeyAPRCOGFDVGNXQY-UHFFFAOYSA-N
XLogP2.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide (CID 47259789) is N-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide is Cc1cc(F)ccc1NC(=O)c1cnns1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide?
The InChIKey is APRCOGFDVGNXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS/c1-6-4-7(11)2-3-8(6)13-10(15)9-5-12-14-16-9/h2-5H,1H3,(H,13,15).
What are the key properties of N-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide?
N-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 47259789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).