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

C6H6N4S — CID 22887955

IUPAC4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
SMILESCc1csc(-n2cncn2)n1
InChIInChI=1S/C6H6N4S/c1-5-2-11-6(9-5)10-4-7-3-8-10/h2-4H,1H3
InChIKeyYLHZARTWMMREJC-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.03
Rot. Bonds1

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

4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole (PubChem CID 22887955) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
PubChem CID22887955
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
SMILESCc1csc(-n2cncn2)n1
InChIInChI=1S/C6H6N4S/c1-5-2-11-6(9-5)10-4-7-3-8-10/h2-4H,1H3
InChIKeyYLHZARTWMMREJC-UHFFFAOYSA-N
XLogP1.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methylthiazolo[3,2-B][1,2,4]triazole
CID 10701896
4-methyl-2-(2H-tetrazol-3-ium-3-yl)-1,3-thiazole
CID 66815352
4-[(3,5-Dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole
CID 71979618
4-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]-1,3-thiazol-2-amine
CID 4235691
6-Methyl-[1,3]thiazolo[2,3-e]tetrazole
CID 21780997
4-Methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]-1,3-thiazole
CID 13061965
4-[3-(1-Methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine
CID 13061969
4-[(1-Methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 13138440
(2-[1,2,4]Triazol-1-ylthiazole-4-yl)methanol
CID 18411537
2-[(3-Tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 18707570
4-Methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18707601
2-[(3-Ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 18707661

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole (CID 22887955) is 4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole is Cc1csc(-n2cncn2)n1.
What is the InChIKey of 4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole?
The InChIKey is YLHZARTWMMREJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-5-2-11-6(9-5)10-4-7-3-8-10/h2-4H,1H3.
What are the key properties of 4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole?
4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole has a molecular weight of 166.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 22887955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).