(2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone

C11H10N2OS — CID 105097899

IUPAC(2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone
SMILESCc1ccc(C(=O)c2cnns2)c(C)c1
InChIInChI=1S/C11H10N2OS/c1-7-3-4-9(8(2)5-7)11(14)10-6-12-13-15-10/h3-6H,1-2H3
InChIKeySICNPPGCOQVYFR-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.39
Rot. Bonds2

About (2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone

(2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone (PubChem CID 105097899) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone
PubChem CID105097899
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name(2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone
SMILESCc1ccc(C(=O)c2cnns2)c(C)c1
InChIInChI=1S/C11H10N2OS/c1-7-3-4-9(8(2)5-7)11(14)10-6-12-13-15-10/h3-6H,1-2H3
InChIKeySICNPPGCOQVYFR-UHFFFAOYSA-N
XLogP2.39
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
CID 47259565
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
(2,4-dimethylphenyl)-(2,3,4-trimethylphenyl)methanone
CID 70628642
(2,4-dimethylbenzoyl)-oxophosphanium
CID 151738944
(2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone
CID 105119964
(3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone
CID 86189379
(3,5-dimethoxyphenyl)-(thiadiazol-5-yl)methanone
CID 105117228
(3,5-difluorophenyl)-(thiadiazol-5-yl)methanone
CID 105095106
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
(2,4-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338550
(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927682
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone (CID 105097899) is (2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone is Cc1ccc(C(=O)c2cnns2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone?
The InChIKey is SICNPPGCOQVYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-7-3-4-9(8(2)5-7)11(14)10-6-12-13-15-10/h3-6H,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone?
(2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone has a molecular weight of 218.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 105097899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).