5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one

C7H6N2OS2 — CID 106518530

IUPAC5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one
SMILESCc1cc(-c2n[nH]c(=O)s2)cs1
InChIInChI=1S/C7H6N2OS2/c1-4-2-5(3-11-4)6-8-9-7(10)12-6/h2-3H,1H3,(H,9,10)
InChIKeyJEDGLDHUQSJYTP-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.87
Rot. Bonds1

About 5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one

5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one (PubChem CID 106518530) has the molecular formula C7H6N2OS2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one
PubChem CID106518530
Molecular FormulaC7H6N2OS2
Molecular Weight198.27 g/mol
Exact Mass197.99
IUPAC Name5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one
SMILESCc1cc(-c2n[nH]c(=O)s2)cs1
InChIInChI=1S/C7H6N2OS2/c1-4-2-5(3-11-4)6-8-9-7(10)12-6/h2-3H,1H3,(H,9,10)
InChIKeyJEDGLDHUQSJYTP-UHFFFAOYSA-N
XLogP1.87
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one
CID 106518542
5-(3,5-ditert-butyl-4-hydroxyphenyl)-3H-1,3,4-thiadiazol-2-one
CID 135407197
5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one
CID 106520657
6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
CID 106518555
4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769330
5-(6-iodo-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one
CID 135394491
2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136769320
3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
CID 106518527
5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one
CID 106518511
2-methyl-4-(4-methylphenyl)thiophene
CID 59707564
4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene
CID 20607074
2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione
CID 130835298

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one?
The IUPAC name of 5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one (CID 106518530) is 5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one?
The canonical SMILES for 5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one is Cc1cc(-c2n[nH]c(=O)s2)cs1.
What is the InChIKey of 5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one?
The InChIKey is JEDGLDHUQSJYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS2/c1-4-2-5(3-11-4)6-8-9-7(10)12-6/h2-3H,1H3,(H,9,10).
What are the key properties of 5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one?
5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one has a molecular weight of 198.27 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 106518530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).