2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone

C14H16N2OS — CID 105081673

IUPAC2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
SMILESCCc1nnsc1C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C14H16N2OS/c1-4-12-14(18-16-15-12)13(17)8-11-7-9(2)5-6-10(11)3/h5-7H,4,8H2,1-3H3
InChIKeyBRBZSVRTFQCDJR-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.14
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone

2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone (PubChem CID 105081673) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
PubChem CID105081673
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
SMILESCCc1nnsc1C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C14H16N2OS/c1-4-12-14(18-16-15-12)13(17)8-11-7-9(2)5-6-10(11)3/h5-7H,4,8H2,1-3H3
InChIKeyBRBZSVRTFQCDJR-UHFFFAOYSA-N
XLogP3.14
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105079140
4-ethylthiadiazole-5-carboxamide
CID 45084470
2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone
CID 105079495
1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
CID 102762888
2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105081631
4-ethylthiadiazole-5-carbonyl chloride
CID 18524959
1-[1-(2-aminoethyl)triazol-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 116583240
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-one
CID 105106889
(4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 30543853
1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 105110386
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone (CID 105081673) is 2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone is CCc1nnsc1C(=O)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone?
The InChIKey is BRBZSVRTFQCDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-4-12-14(18-16-15-12)13(17)8-11-7-9(2)5-6-10(11)3/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone?
2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105081673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).