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

C14H14N6O2S — CID 59352810

IUPAC1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cncnc3)c(OC)nc2s1
InChIInChI=1S/C14H14N6O2S/c1-3-17-13(21)20-14-18-10-4-9(8-5-15-7-16-6-8)11(22-2)19-12(10)23-14/h4-7H,3H2,1-2H3,(H2,17,18,20,21)
InChIKeyDWMVVFDZEYIPJT-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.30
Rot. Bonds4

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

1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (PubChem CID 59352810) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
PubChem CID59352810
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cncnc3)c(OC)nc2s1
InChIInChI=1S/C14H14N6O2S/c1-3-17-13(21)20-14-18-10-4-9(8-5-15-7-16-6-8)11(22-2)19-12(10)23-14/h4-7H,3H2,1-2H3,(H2,17,18,20,21)
InChIKeyDWMVVFDZEYIPJT-UHFFFAOYSA-N
XLogP2.30
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The IUPAC name of 1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (CID 59352810) is 1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is CCNC(=O)Nc1nc2cc(-c3cncnc3)c(OC)nc2s1.
What is the InChIKey of 1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The InChIKey is DWMVVFDZEYIPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-3-17-13(21)20-14-18-10-4-9(8-5-15-7-16-6-8)11(22-2)19-12(10)23-14/h4-7H,3H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea has a molecular weight of 330.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is sourced from PubChem (CID 59352810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).