2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide

C15H16N6OS — CID 131929652

IUPAC2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide
SMILESCCc1nc(C)c(-c2nc(CC(N)=O)nn2-c2cccnc2)s1
InChIInChI=1S/C15H16N6OS/c1-3-13-18-9(2)14(23-13)15-19-12(7-11(16)22)20-21(15)10-5-4-6-17-8-10/h4-6,8H,3,7H2,1-2H3,(H2,16,22)
InChIKeyDIGSDMGQQMYZKL-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.68
Rot. Bonds5

About 2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide

2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide (PubChem CID 131929652) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide
PubChem CID131929652
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide
SMILESCCc1nc(C)c(-c2nc(CC(N)=O)nn2-c2cccnc2)s1
InChIInChI=1S/C15H16N6OS/c1-3-13-18-9(2)14(23-13)15-19-12(7-11(16)22)20-21(15)10-5-4-6-17-8-10/h4-6,8H,3,7H2,1-2H3,(H2,16,22)
InChIKeyDIGSDMGQQMYZKL-UHFFFAOYSA-N
XLogP1.68
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide (CID 131929652) is 2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide is CCc1nc(C)c(-c2nc(CC(N)=O)nn2-c2cccnc2)s1.
What is the InChIKey of 2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is DIGSDMGQQMYZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-3-13-18-9(2)14(23-13)15-19-12(7-11(16)22)20-21(15)10-5-4-6-17-8-10/h4-6,8H,3,7H2,1-2H3,(H2,16,22).
What are the key properties of 2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide?
2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 328.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131929652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).