1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

C18H15N5OS — CID 155554608

IUPAC1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3nc(-c4ccsc4)nn3c2)cc1
InChIInChI=1S/C18H15N5OS/c1-12-2-4-14(5-3-12)19-18(24)20-15-6-7-16-21-17(22-23(16)10-15)13-8-9-25-11-13/h2-11H,1H3,(H2,19,20,24)
InChIKeyASAAPYFHEGMTAZ-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.41
Rot. Bonds3

About 1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 155554608) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID155554608
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3nc(-c4ccsc4)nn3c2)cc1
InChIInChI=1S/C18H15N5OS/c1-12-2-4-14(5-3-12)19-18(24)20-15-6-7-16-21-17(22-23(16)10-15)13-8-9-25-11-13/h2-11H,1H3,(H2,19,20,24)
InChIKeyASAAPYFHEGMTAZ-UHFFFAOYSA-N
XLogP4.41
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 155554608) is 1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccsc4)nn3c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is ASAAPYFHEGMTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-12-2-4-14(5-3-12)19-18(24)20-15-6-7-16-21-17(22-23(16)10-15)13-8-9-25-11-13/h2-11H,1H3,(H2,19,20,24).
What are the key properties of 1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 349.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 155554608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).