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

C8H10N4S2 — CID 18778668

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nnc(C)n2C)n1
InChIInChI=1S/C8H10N4S2/c1-5-4-13-8(9-5)14-7-11-10-6(2)12(7)3/h4H,1-3H3
InChIKeyGYACZJOGONFJHW-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.04
Rot. Bonds2

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

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole (PubChem CID 18778668) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole
PubChem CID18778668
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nnc(C)n2C)n1
InChIInChI=1S/C8H10N4S2/c1-5-4-13-8(9-5)14-7-11-10-6(2)12(7)3/h4H,1-3H3
InChIKeyGYACZJOGONFJHW-UHFFFAOYSA-N
XLogP2.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole (CID 18778668) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole is Cc1csc(Sc2nnc(C)n2C)n1.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole?
The InChIKey is GYACZJOGONFJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-5-4-13-8(9-5)14-7-11-10-6(2)12(7)3/h4H,1-3H3.
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole has a molecular weight of 226.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 18778668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).