4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one

C7H8N4OS — CID 115774387

IUPAC4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one
SMILESCn1cnn(Cc2cscn2)c1=O
InChIInChI=1S/C7H8N4OS/c1-10-4-9-11(7(10)12)2-6-3-13-5-8-6/h3-5H,2H2,1H3
InChIKeyKFEZIYMFXAMCNG-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.09
Rot. Bonds2

About 4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one

4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one (PubChem CID 115774387) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one
PubChem CID115774387
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one
SMILESCn1cnn(Cc2cscn2)c1=O
InChIInChI=1S/C7H8N4OS/c1-10-4-9-11(7(10)12)2-6-3-13-5-8-6/h3-5H,2H2,1H3
InChIKeyKFEZIYMFXAMCNG-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole
CID 82700131
2-butyl-4-methyl-1,2,4-triazol-3-one
CID 115774482
1-(1,3-thiazol-4-ylmethyl)pyridin-4-one
CID 116622179
1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
CID 63812232
1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
CID 63811075
4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one
CID 115773684
6-chloro-3-(1,3-thiazol-4-ylmethyl)pyrimidin-4-one
CID 114582153
2-[2-(aminomethyl)prop-2-enyl]-4-methyl-1,2,4-triazol-3-one
CID 103072853
2-(2-ethylbutyl)-4-methyl-1,2,4-triazol-3-one
CID 115875433
2-[(2S)-2-hydroxypropyl]-4-methyl-1,2,4-triazol-3-one
CID 103935454
4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one
CID 19987501
5-iodo-3-(1,3-thiazol-4-ylmethyl)pyrimidin-4-one
CID 66308632

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one (CID 115774387) is 4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one is Cn1cnn(Cc2cscn2)c1=O.
What is the InChIKey of 4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one?
The InChIKey is KFEZIYMFXAMCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-10-4-9-11(7(10)12)2-6-3-13-5-8-6/h3-5H,2H2,1H3.
What are the key properties of 4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one?
4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one has a molecular weight of 196.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 115774387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).