1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea

C15H13N5OS — CID 44553176

IUPAC1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESC=CCNC(=O)Nc1nc2cc(-c3cccnc3)cnc2s1
InChIInChI=1S/C15H13N5OS/c1-2-5-17-14(21)20-15-19-12-7-11(9-18-13(12)22-15)10-4-3-6-16-8-10/h2-4,6-9H,1,5H2,(H2,17,19,20,21)
InChIKeySKGUGHAPGPISKP-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.06
Rot. Bonds4

About 1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea

1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (PubChem CID 44553176) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
PubChem CID44553176
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESC=CCNC(=O)Nc1nc2cc(-c3cccnc3)cnc2s1
InChIInChI=1S/C15H13N5OS/c1-2-5-17-14(21)20-15-19-12-7-11(9-18-13(12)22-15)10-4-3-6-16-8-10/h2-4,6-9H,1,5H2,(H2,17,19,20,21)
InChIKeySKGUGHAPGPISKP-UHFFFAOYSA-N
XLogP3.06
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The IUPAC name of 1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (CID 44553176) is 1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.
What is the SMILES notation for 1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The canonical SMILES for 1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is C=CCNC(=O)Nc1nc2cc(-c3cccnc3)cnc2s1.
What is the InChIKey of 1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The InChIKey is SKGUGHAPGPISKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-2-5-17-14(21)20-15-19-12-7-11(9-18-13(12)22-15)10-4-3-6-16-8-10/h2-4,6-9H,1,5H2,(H2,17,19,20,21).
What are the key properties of 1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea has a molecular weight of 311.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is sourced from PubChem (CID 44553176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).