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

C9H12N4S2 — CID 18708503

IUPAC4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole
SMILESCc1csc(Sn2cnc(C(C)C)n2)n1
InChIInChI=1S/C9H12N4S2/c1-6(2)8-10-5-13(12-8)15-9-11-7(3)4-14-9/h4-6H,1-3H3
InChIKeyYBDURUGEBPZFKQ-UHFFFAOYSA-N
MW240.36 g/mol
LogP2.72
Rot. Bonds3

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

4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole (PubChem CID 18708503) has the molecular formula C9H12N4S2 and a molecular weight of 240.36 g/mol. Its IUPAC name is 4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole
PubChem CID18708503
Molecular FormulaC9H12N4S2
Molecular Weight240.36 g/mol
Exact Mass240.05
IUPAC Name4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole
SMILESCc1csc(Sn2cnc(C(C)C)n2)n1
InChIInChI=1S/C9H12N4S2/c1-6(2)8-10-5-13(12-8)15-9-11-7(3)4-14-9/h4-6H,1-3H3
InChIKeyYBDURUGEBPZFKQ-UHFFFAOYSA-N
XLogP2.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole (CID 18708503) is 4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole is Cc1csc(Sn2cnc(C(C)C)n2)n1.
What is the InChIKey of 4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole?
The InChIKey is YBDURUGEBPZFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2/c1-6(2)8-10-5-13(12-8)15-9-11-7(3)4-14-9/h4-6H,1-3H3.
What are the key properties of 4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole?
4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole has a molecular weight of 240.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 18708503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).