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

C6H6N4S2 — CID 18708332

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
SMILESCn1cnnc1Sc1nccs1
InChIInChI=1S/C6H6N4S2/c1-10-4-8-9-5(10)12-6-7-2-3-11-6/h2-4H,1H3
InChIKeyVOPHYXYWSHKPPT-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.42
Rot. Bonds2

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

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole (PubChem CID 18708332) has the molecular formula C6H6N4S2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
PubChem CID18708332
Molecular FormulaC6H6N4S2
Molecular Weight198.28 g/mol
Exact Mass198.00
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
SMILESCn1cnnc1Sc1nccs1
InChIInChI=1S/C6H6N4S2/c1-10-4-8-9-5(10)12-6-7-2-3-11-6/h2-4H,1H3
InChIKeyVOPHYXYWSHKPPT-UHFFFAOYSA-N
XLogP1.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole (CID 18708332) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole is Cn1cnnc1Sc1nccs1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
The InChIKey is VOPHYXYWSHKPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S2/c1-10-4-8-9-5(10)12-6-7-2-3-11-6/h2-4H,1H3.
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole has a molecular weight of 198.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 18708332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).