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

C14H15FN2OS — CID 106883369

IUPAC(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCc1cc(C)c(C(=O)c2snnc2C(C)C)c(F)c1
InChIInChI=1S/C14H15FN2OS/c1-7(2)12-14(19-17-16-12)13(18)11-9(4)5-8(3)6-10(11)15/h5-7H,1-4H3
InChIKeyUFIVRFSTNLAUMA-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.65
Rot. Bonds3

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

(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 106883369) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID106883369
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCc1cc(C)c(C(=O)c2snnc2C(C)C)c(F)c1
InChIInChI=1S/C14H15FN2OS/c1-7(2)12-14(19-17-16-12)13(18)11-9(4)5-8(3)6-10(11)15/h5-7H,1-4H3
InChIKeyUFIVRFSTNLAUMA-UHFFFAOYSA-N
XLogP3.65
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 106883369) is (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone is Cc1cc(C)c(C(=O)c2snnc2C(C)C)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is UFIVRFSTNLAUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-7(2)12-14(19-17-16-12)13(18)11-9(4)5-8(3)6-10(11)15/h5-7H,1-4H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 106883369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).