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

C18H19N5O3S — CID 59352819

IUPAC1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCCOC)nc2s1
InChIInChI=1S/C18H19N5O3S/c1-3-6-20-17(24)23-18-21-14-10-13(12-5-4-7-19-11-12)15(22-16(14)27-18)26-9-8-25-2/h3-5,7,10-11H,1,6,8-9H2,2H3,(H2,20,21,23,24)
InChIKeyUGAWLNGDQSYNDJ-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.09
Rot. Bonds8

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

1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea (PubChem CID 59352819) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea
PubChem CID59352819
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCCOC)nc2s1
InChIInChI=1S/C18H19N5O3S/c1-3-6-20-17(24)23-18-21-14-10-13(12-5-4-7-19-11-12)15(22-16(14)27-18)26-9-8-25-2/h3-5,7,10-11H,1,6,8-9H2,2H3,(H2,20,21,23,24)
InChIKeyUGAWLNGDQSYNDJ-UHFFFAOYSA-N
XLogP3.09
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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 59352824
CID 59352824
CID 59352825
CID 59352825

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea?
The IUPAC name of 1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea (CID 59352819) is 1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea?
The canonical SMILES for 1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea is C=CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCCOC)nc2s1.
What is the InChIKey of 1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea?
The InChIKey is UGAWLNGDQSYNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-3-6-20-17(24)23-18-21-14-10-13(12-5-4-7-19-11-12)15(22-16(14)27-18)26-9-8-25-2/h3-5,7,10-11H,1,6,8-9H2,2H3,(H2,20,21,23,24).
What are the key properties of 1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea?
1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea has a molecular weight of 385.45 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea is sourced from PubChem (CID 59352819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).