5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole

C6H6N4O2S2 — CID 141119434

IUPAC5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole
SMILESCn1cnnc1S(=O)(=O)c1cncs1
InChIInChI=1S/C6H6N4O2S2/c1-10-3-8-9-6(10)14(11,12)5-2-7-4-13-5/h2-4H,1H3
InChIKeyABNITJOBFBTSBD-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.10
Rot. Bonds2

About 5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole

5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole (PubChem CID 141119434) has the molecular formula C6H6N4O2S2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole
PubChem CID141119434
Molecular FormulaC6H6N4O2S2
Molecular Weight230.27 g/mol
Exact Mass229.99
IUPAC Name5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole
SMILESCn1cnnc1S(=O)(=O)c1cncs1
InChIInChI=1S/C6H6N4O2S2/c1-10-3-8-9-6(10)14(11,12)5-2-7-4-13-5/h2-4H,1H3
InChIKeyABNITJOBFBTSBD-UHFFFAOYSA-N
XLogP0.10
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole
CID 141083646
4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole
CID 97301297
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzonitrile
CID 53499822
[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 90592105
4-ethyl-3-methylsulfonyl-1,2,4-triazole
CID 71306213
2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61047274
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine
CID 90592398
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 63330108
(3-iodophenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592361
methanesulfonic acid;1,3-thiazole-5-carboxamide
CID 174614259
3-[(2-ethoxyphenyl)methylsulfonyl]-4-methyl-1,2,4-triazole
CID 47217757
2-[(4-methyl-1,2,4-triazol-3-yl)sulfamoyl]acetic acid
CID 131007644

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole?
The IUPAC name of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole (CID 141119434) is 5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole.
What is the SMILES notation for 5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole?
The canonical SMILES for 5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole is Cn1cnnc1S(=O)(=O)c1cncs1.
What is the InChIKey of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole?
The InChIKey is ABNITJOBFBTSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2S2/c1-10-3-8-9-6(10)14(11,12)5-2-7-4-13-5/h2-4H,1H3.
What are the key properties of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole?
5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole has a molecular weight of 230.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole is sourced from PubChem (CID 141119434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).