2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide

C13H15N7OS — CID 46992733

IUPAC2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCc1nc(C)c(-c2ccn(CC(=O)Nc3cnn(C)n3)n2)s1
InChIInChI=1S/C13H15N7OS/c1-8-13(22-9(2)15-8)10-4-5-20(17-10)7-12(21)16-11-6-14-19(3)18-11/h4-6H,7H2,1-3H3,(H,16,18,21)
InChIKeyUPPQSNMYNOLLLX-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.39
Rot. Bonds4

About 2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide

2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (PubChem CID 46992733) has the molecular formula C13H15N7OS and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
PubChem CID46992733
Molecular FormulaC13H15N7OS
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCc1nc(C)c(-c2ccn(CC(=O)Nc3cnn(C)n3)n2)s1
InChIInChI=1S/C13H15N7OS/c1-8-13(22-9(2)15-8)10-4-5-20(17-10)7-12(21)16-11-6-14-19(3)18-11/h4-6H,7H2,1-3H3,(H,16,18,21)
InChIKeyUPPQSNMYNOLLLX-UHFFFAOYSA-N
XLogP1.39
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The IUPAC name of 2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (CID 46992733) is 2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is Cc1nc(C)c(-c2ccn(CC(=O)Nc3cnn(C)n3)n2)s1.
What is the InChIKey of 2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The InChIKey is UPPQSNMYNOLLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7OS/c1-8-13(22-9(2)15-8)10-4-5-20(17-10)7-12(21)16-11-6-14-19(3)18-11/h4-6H,7H2,1-3H3,(H,16,18,21).
What are the key properties of 2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide has a molecular weight of 317.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 46992733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).