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

C8H10N4S — CID 18726649

IUPAC4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2nnc(C)n2C)cs1
InChIInChI=1S/C8H10N4S/c1-5-10-11-8(12(5)3)7-4-13-6(2)9-7/h4H,1-3H3
InChIKeyJBPBMQJYHACPBP-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.56
Rot. Bonds1

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

4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole (PubChem CID 18726649) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole
PubChem CID18726649
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2nnc(C)n2C)cs1
InChIInChI=1S/C8H10N4S/c1-5-10-11-8(12(5)3)7-4-13-6(2)9-7/h4H,1-3H3
InChIKeyJBPBMQJYHACPBP-UHFFFAOYSA-N
XLogP1.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole (CID 18726649) is 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole is Cc1nc(-c2nnc(C)n2C)cs1.
What is the InChIKey of 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole?
The InChIKey is JBPBMQJYHACPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-5-10-11-8(12(5)3)7-4-13-6(2)9-7/h4H,1-3H3.
What are the key properties of 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole?
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole has a molecular weight of 194.26 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 18726649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).