1-[4-(thiadiazol-4-yl)phenyl]ethanone

C10H8N2OS — CID 59162024

IUPAC1-[4-(thiadiazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C10H8N2OS/c1-7(13)8-2-4-9(5-3-8)10-6-14-12-11-10/h2-6H,1H3
InChIKeyWZQTXKFCJMYPQF-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.41
Rot. Bonds2

About 1-[4-(thiadiazol-4-yl)phenyl]ethanone

1-[4-(thiadiazol-4-yl)phenyl]ethanone (PubChem CID 59162024) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-[4-(thiadiazol-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(thiadiazol-4-yl)phenyl]ethanone
PubChem CID59162024
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name1-[4-(thiadiazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C10H8N2OS/c1-7(13)8-2-4-9(5-3-8)10-6-14-12-11-10/h2-6H,1H3
InChIKeyWZQTXKFCJMYPQF-UHFFFAOYSA-N
XLogP2.41
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methylphenyl)-1,2,3-thiadiazole
CID 2739137
4-(1,2,3-Thiadiazol-4-yl)benzamide
CID 2739359
Methanone, (5-methyl-1,2,3-thiadiazol-4-yl)phenyl-
CID 570006
N-(2-sulfanylethyl)-4-(thiadiazol-4-yl)benzamide
CID 177680246
Benzoyl thiadiazole
CID 105077773
Phenyl-(4-phenylthiadiazol-5-yl)methanone
CID 12739078
(E)-3-(thiadiazol-4-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 47034110
(E)-1-(4-fluorophenyl)-3-(thiadiazol-4-yl)prop-2-en-1-one
CID 47203631
(E)-1-(3,4-difluorophenyl)-3-(thiadiazol-4-yl)prop-2-en-1-one
CID 47203677
(E)-1-(3-fluorophenyl)-3-(thiadiazol-4-yl)prop-2-en-1-one
CID 47241282
3-(Thiadiazol-4-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 72051952
(Z)-3-(thiadiazol-4-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 97817454

Frequently Asked Questions

What is the IUPAC name of 1-[4-(thiadiazol-4-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(thiadiazol-4-yl)phenyl]ethanone (CID 59162024) is 1-[4-(thiadiazol-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(thiadiazol-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(thiadiazol-4-yl)phenyl]ethanone is CC(=O)c1ccc(-c2csnn2)cc1.
What is the InChIKey of 1-[4-(thiadiazol-4-yl)phenyl]ethanone?
The InChIKey is WZQTXKFCJMYPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c1-7(13)8-2-4-9(5-3-8)10-6-14-12-11-10/h2-6H,1H3.
What are the key properties of 1-[4-(thiadiazol-4-yl)phenyl]ethanone?
1-[4-(thiadiazol-4-yl)phenyl]ethanone has a molecular weight of 204.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(thiadiazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 59162024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).