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

C12H13N7OS — CID 46992246

IUPAC2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCc1ncsc1-c1ccn(CC(=O)Nc2cnn(C)n2)n1
InChIInChI=1S/C12H13N7OS/c1-8-12(21-7-13-8)9-3-4-19(16-9)6-11(20)15-10-5-14-18(2)17-10/h3-5,7H,6H2,1-2H3,(H,15,17,20)
InChIKeyRQHPSCFMXOVIMN-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.08
Rot. Bonds4

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

2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (PubChem CID 46992246) has the molecular formula C12H13N7OS and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
PubChem CID46992246
Molecular FormulaC12H13N7OS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCc1ncsc1-c1ccn(CC(=O)Nc2cnn(C)n2)n1
InChIInChI=1S/C12H13N7OS/c1-8-12(21-7-13-8)9-3-4-19(16-9)6-11(20)15-10-5-14-18(2)17-10/h3-5,7H,6H2,1-2H3,(H,15,17,20)
InChIKeyRQHPSCFMXOVIMN-UHFFFAOYSA-N
XLogP1.08
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The IUPAC name of 2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (CID 46992246) is 2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is Cc1ncsc1-c1ccn(CC(=O)Nc2cnn(C)n2)n1.
What is the InChIKey of 2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The InChIKey is RQHPSCFMXOVIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7OS/c1-8-12(21-7-13-8)9-3-4-19(16-9)6-11(20)15-10-5-14-18(2)17-10/h3-5,7H,6H2,1-2H3,(H,15,17,20).
What are the key properties of 2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide has a molecular weight of 303.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 46992246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).