(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone

C12H10F2N2OS — CID 105101004

IUPAC(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C12H10F2N2OS/c1-6(2)10-12(18-16-15-10)11(17)9-7(13)4-3-5-8(9)14/h3-6H,1-2H3
InChIKeyFEFRHXMITBFGFI-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.17
Rot. Bonds3

About (2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone

(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 105101004) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID105101004
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C12H10F2N2OS/c1-6(2)10-12(18-16-15-10)11(17)9-7(13)4-3-5-8(9)14/h3-6H,1-2H3
InChIKeyFEFRHXMITBFGFI-UHFFFAOYSA-N
XLogP3.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 105101004) is (2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone is CC(C)c1nnsc1C(=O)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is FEFRHXMITBFGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c1-6(2)10-12(18-16-15-10)11(17)9-7(13)4-3-5-8(9)14/h3-6H,1-2H3.
What are the key properties of (2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 268.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105101004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).