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

C17H19N5O3S — CID 59352825

IUPAC1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCCOC)nc2s1
InChIInChI=1S/C17H19N5O3S/c1-3-19-16(23)22-17-20-13-9-12(11-5-4-6-18-10-11)14(21-15(13)26-17)25-8-7-24-2/h4-6,9-10H,3,7-8H2,1-2H3,(H2,19,20,22,23)
InChIKeyBPIAZJYUGZZIFG-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.92
Rot. Bonds7

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

1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (PubChem CID 59352825) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
PubChem CID59352825
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCCOC)nc2s1
InChIInChI=1S/C17H19N5O3S/c1-3-19-16(23)22-17-20-13-9-12(11-5-4-6-18-10-11)14(21-15(13)26-17)25-8-7-24-2/h4-6,9-10H,3,7-8H2,1-2H3,(H2,19,20,22,23)
InChIKeyBPIAZJYUGZZIFG-UHFFFAOYSA-N
XLogP2.92
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59352802
CID 59352802
CID 72713515
CID 72713515
CID 72713518
CID 72713518
CID 46882517
CID 46882517
CID 58548590
CID 58548590
CID 59352787
CID 59352787
CID 59352798
CID 59352798
CID 59352805
CID 59352805
CID 59352810
CID 59352810
CID 59352812
CID 59352812
CID 59352819
CID 59352819
CID 59352824
CID 59352824

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (CID 59352825) is 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCCOC)nc2s1.
What is the InChIKey of 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The InChIKey is BPIAZJYUGZZIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-3-19-16(23)22-17-20-13-9-12(11-5-4-6-18-10-11)14(21-15(13)26-17)25-8-7-24-2/h4-6,9-10H,3,7-8H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea has a molecular weight of 373.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is sourced from PubChem (CID 59352825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).