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

C16H18N6O3S — CID 59352805

IUPAC1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cncnc3)c(OCCOC)nc2s1
InChIInChI=1S/C16H18N6O3S/c1-3-19-15(23)22-16-20-12-6-11(10-7-17-9-18-8-10)13(21-14(12)26-16)25-5-4-24-2/h6-9H,3-5H2,1-2H3,(H2,19,20,22,23)
InChIKeyDFUGRSJYZFEARP-UHFFFAOYSA-N
MW374.43 g/mol
LogP2.31
Rot. Bonds7

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

1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (PubChem CID 59352805) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
PubChem CID59352805
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC Name1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cncnc3)c(OCCOC)nc2s1
InChIInChI=1S/C16H18N6O3S/c1-3-19-15(23)22-16-20-12-6-11(10-7-17-9-18-8-10)13(21-14(12)26-16)25-5-4-24-2/h6-9H,3-5H2,1-2H3,(H2,19,20,22,23)
InChIKeyDFUGRSJYZFEARP-UHFFFAOYSA-N
XLogP2.31
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (CID 59352805) is 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cncnc3)c(OCCOC)nc2s1.
What is the InChIKey of 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The InChIKey is DFUGRSJYZFEARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S/c1-3-19-15(23)22-16-20-12-6-11(10-7-17-9-18-8-10)13(21-14(12)26-16)25-5-4-24-2/h6-9H,3-5H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea has a molecular weight of 374.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(2-methoxyethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is sourced from PubChem (CID 59352805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).