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

C6H6N4S — CID 58458813

IUPAC5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
SMILESCc1cnc(-n2cncn2)s1
InChIInChI=1S/C6H6N4S/c1-5-2-8-6(11-5)10-4-7-3-9-10/h2-4H,1H3
InChIKeySTEADIHOBSXDLH-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.03
Rot. Bonds1

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

5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole (PubChem CID 58458813) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
PubChem CID58458813
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
SMILESCc1cnc(-n2cncn2)s1
InChIInChI=1S/C6H6N4S/c1-5-2-8-6(11-5)10-4-7-3-9-10/h2-4H,1H3
InChIKeySTEADIHOBSXDLH-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

2,5-Dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 10796948
6-Methyl[1,3]thiazolo[2,3-c][1,2,4]tri-azole
CID 129754766
5-methyl-N,3-bis(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-imine
CID 378125
2-[4-(4-Methyl-1,2,4-triazol-3-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 167815713
5-methyl-N,3-bis(5-methylthiazol-2-yl)thiazol-2-imine
CID 9571431
2-Azido-5-methyl-1,3-thiazole
CID 21854896
5-Methyl[1,3]thiazolo[3,2-d]tetrazole
CID 21854897
5-[3-(1-Methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine
CID 13138421
5-(Tetrazol-1-ylmethyl)-1,3-thiazole
CID 19771033
2-Chloro-5-(1,2,4-triazol-1-ylsulfanylmethyl)-1,3-thiazole
CID 21692706
5-Methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 55295694
2-Chloro-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 58371927

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole (CID 58458813) is 5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole is Cc1cnc(-n2cncn2)s1.
What is the InChIKey of 5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole?
The InChIKey is STEADIHOBSXDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-5-2-8-6(11-5)10-4-7-3-9-10/h2-4H,1H3.
What are the key properties of 5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole?
5-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 5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 58458813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).