1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

C17H15N7OS — CID 25195130

IUPAC1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3nccs3)n2n1
InChIInChI=1S/C17H15N7OS/c1-2-19-17(25)22-16-21-14-9-12(11-4-3-5-18-10-11)8-13(24(14)23-16)15-20-6-7-26-15/h3-10H,2H2,1H3,(H2,19,22,23,25)
InChIKeyXVUFLIJSHAIGMS-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.06
Rot. Bonds4

About 1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (PubChem CID 25195130) has the molecular formula C17H15N7OS and a molecular weight of 365.42 g/mol. Its IUPAC name is 1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
PubChem CID25195130
Molecular FormulaC17H15N7OS
Molecular Weight365.42 g/mol
Exact Mass365.11
IUPAC Name1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3nccs3)n2n1
InChIInChI=1S/C17H15N7OS/c1-2-19-17(25)22-16-21-14-9-12(11-4-3-5-18-10-11)8-13(24(14)23-16)15-20-6-7-26-15/h3-10H,2H2,1H3,(H2,19,22,23,25)
InChIKeyXVUFLIJSHAIGMS-UHFFFAOYSA-N
XLogP3.06
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (CID 25195130) is 1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3nccs3)n2n1.
What is the InChIKey of 1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The InChIKey is XVUFLIJSHAIGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7OS/c1-2-19-17(25)22-16-21-14-9-12(11-4-3-5-18-10-11)8-13(24(14)23-16)15-20-6-7-26-15/h3-10H,2H2,1H3,(H2,19,22,23,25).
What are the key properties of 1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea has a molecular weight of 365.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[7-pyridin-3-yl-5-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is sourced from PubChem (CID 25195130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).