5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole

C8H10N4S — CID 168909740

IUPAC5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole
SMILESCC(C)n1cc(-c2cncs2)nn1
InChIInChI=1S/C8H10N4S/c1-6(2)12-4-7(10-11-12)8-3-9-5-13-8/h3-6H,1-2H3
InChIKeyVQWNHXGVBRWUND-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.98
Rot. Bonds2

About 5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole

5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole (PubChem CID 168909740) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole
PubChem CID168909740
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole
SMILESCC(C)n1cc(-c2cncs2)nn1
InChIInChI=1S/C8H10N4S/c1-6(2)12-4-7(10-11-12)8-3-9-5-13-8/h3-6H,1-2H3
InChIKeyVQWNHXGVBRWUND-UHFFFAOYSA-N
XLogP1.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole?
The IUPAC name of 5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole (CID 168909740) is 5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole?
The canonical SMILES for 5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole is CC(C)n1cc(-c2cncs2)nn1.
What is the InChIKey of 5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole?
The InChIKey is VQWNHXGVBRWUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-6(2)12-4-7(10-11-12)8-3-9-5-13-8/h3-6H,1-2H3.
What are the key properties of 5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole?
5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole has a molecular weight of 194.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-yltriazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 168909740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).