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

C17H19N7O2S — CID 72713303

IUPAC1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cncnc3)c(N3CCOCC3)nc2s1
InChIInChI=1S/C17H19N7O2S/c1-2-20-16(25)23-17-21-13-7-12(11-8-18-10-19-9-11)14(22-15(13)27-17)24-3-5-26-6-4-24/h7-10H,2-6H2,1H3,(H2,20,21,23,25)
InChIKeyZERPWIHGOJSFAO-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.13
Rot. Bonds4

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

1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (PubChem CID 72713303) has the molecular formula C17H19N7O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
PubChem CID72713303
Molecular FormulaC17H19N7O2S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC Name1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cncnc3)c(N3CCOCC3)nc2s1
InChIInChI=1S/C17H19N7O2S/c1-2-20-16(25)23-17-21-13-7-12(11-8-18-10-19-9-11)14(22-15(13)27-17)24-3-5-26-6-4-24/h7-10H,2-6H2,1H3,(H2,20,21,23,25)
InChIKeyZERPWIHGOJSFAO-UHFFFAOYSA-N
XLogP2.13
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The IUPAC name of 1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (CID 72713303) is 1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is CCNC(=O)Nc1nc2cc(-c3cncnc3)c(N3CCOCC3)nc2s1.
What is the InChIKey of 1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The InChIKey is ZERPWIHGOJSFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2S/c1-2-20-16(25)23-17-21-13-7-12(11-8-18-10-19-9-11)14(22-15(13)27-17)24-3-5-26-6-4-24/h7-10H,2-6H2,1H3,(H2,20,21,23,25).
What are the key properties of 1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea has a molecular weight of 385.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-morpholin-4-yl-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is sourced from PubChem (CID 72713303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).