5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one

C7H8N4OS — CID 130610602

IUPAC5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one
SMILESCc1nn(Cn2cccn2)c(=O)s1
InChIInChI=1S/C7H8N4OS/c1-6-9-11(7(12)13-6)5-10-4-2-3-8-10/h2-4H,5H2,1H3
InChIKeyHWBPFNGRRCJSRO-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.32
Rot. Bonds2

About 5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one

5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one (PubChem CID 130610602) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one
PubChem CID130610602
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one
SMILESCc1nn(Cn2cccn2)c(=O)s1
InChIInChI=1S/C7H8N4OS/c1-6-9-11(7(12)13-6)5-10-4-2-3-8-10/h2-4H,5H2,1H3
InChIKeyHWBPFNGRRCJSRO-UHFFFAOYSA-N
XLogP0.32
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazol-2-one
CID 136538268
5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 118594828
3-methyl-4-(2-pyrazol-1-ylethyl)-1H-1,2,4-triazol-5-one
CID 126953689
4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole
CID 62129090
1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione
CID 61463085
1-[[3-(pyrazol-1-ylmethyl)imidazolidin-1-yl]methyl]pyrazole
CID 174856274
6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
CID 116788167
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrazol-1-ylacetamide
CID 39723877
(4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol
CID 4639787
1-ethylpyrazole;propane
CID 142296683
1-[dideuterio(pyrazol-1-yl)methyl]pyrazole
CID 131845717
(4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol
CID 3839294

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one?
The IUPAC name of 5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one (CID 130610602) is 5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one?
The canonical SMILES for 5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one is Cc1nn(Cn2cccn2)c(=O)s1.
What is the InChIKey of 5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one?
The InChIKey is HWBPFNGRRCJSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-6-9-11(7(12)13-6)5-10-4-2-3-8-10/h2-4H,5H2,1H3.
What are the key properties of 5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one?
5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one has a molecular weight of 196.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 130610602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).