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

C6H6N4S — CID 130652343

IUPAC2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole
SMILESCc1ncn(-c2nccs2)n1
InChIInChI=1S/C6H6N4S/c1-5-8-4-10(9-5)6-7-2-3-11-6/h2-4H,1H3
InChIKeyGHCIHSQFOWIVSA-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.03
Rot. Bonds1

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

2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole (PubChem CID 130652343) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole
PubChem CID130652343
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole
SMILESCc1ncn(-c2nccs2)n1
InChIInChI=1S/C6H6N4S/c1-5-8-4-10(9-5)6-7-2-3-11-6/h2-4H,1H3
InChIKeyGHCIHSQFOWIVSA-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

3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 61176031
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
3-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 82878352
5-methyl-2-(1,3-thiazol-2-yl)-4H-pyrazol-3-one
CID 130157569
2-methyl-1,3-thiazole;hydrate;hydrochloride
CID 22288455
2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one
CID 82880731
2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole
CID 82880303
4-methyl-1-(1,3-thiazol-2-yl)pyridin-2-one
CID 175371107
N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine
CID 138457525
3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82878905
N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide
CID 118016504
4-bromo-2,6-dimethyl-N-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 166186600

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole?
The IUPAC name of 2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole (CID 130652343) is 2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole is Cc1ncn(-c2nccs2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole?
The InChIKey is GHCIHSQFOWIVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-5-8-4-10(9-5)6-7-2-3-11-6/h2-4H,1H3.
What are the key properties of 2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole?
2-(3-methyl-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 2-(3-methyl-1,2,4-triazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 130652343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).