(2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone

C10H6F2N2OS — CID 107515138

IUPAC(2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2csnn2)c(F)c1F
InChIInChI=1S/C10H6F2N2OS/c1-5-2-3-6(9(12)8(5)11)10(15)7-4-16-14-13-7/h2-4H,1H3
InChIKeyKDJVQCUANOIYLP-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.36
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone

(2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone (PubChem CID 107515138) has the molecular formula C10H6F2N2OS and a molecular weight of 240.23 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone
PubChem CID107515138
Molecular FormulaC10H6F2N2OS
Molecular Weight240.23 g/mol
Exact Mass240.02
IUPAC Name(2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2csnn2)c(F)c1F
InChIInChI=1S/C10H6F2N2OS/c1-5-2-3-6(9(12)8(5)11)10(15)7-4-16-14-13-7/h2-4H,1H3
InChIKeyKDJVQCUANOIYLP-UHFFFAOYSA-N
XLogP2.36
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone (CID 107515138) is (2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone is Cc1ccc(C(=O)c2csnn2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone?
The InChIKey is KDJVQCUANOIYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2OS/c1-5-2-3-6(9(12)8(5)11)10(15)7-4-16-14-13-7/h2-4H,1H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone?
(2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone has a molecular weight of 240.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 107515138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).