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

C14H13N5O2S — CID 86579484

IUPAC1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)[nH]c2s1
InChIInChI=1S/C14H13N5O2S/c1-2-16-13(21)19-14-17-10-6-9(8-4-3-5-15-7-8)11(20)18-12(10)22-14/h3-7H,2H2,1H3,(H,18,20)(H2,16,17,19,21)
InChIKeyGSOQFYSWZUCISF-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.19
Rot. Bonds3

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

1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (PubChem CID 86579484) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
PubChem CID86579484
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)[nH]c2s1
InChIInChI=1S/C14H13N5O2S/c1-2-16-13(21)19-14-17-10-6-9(8-4-3-5-15-7-8)11(20)18-12(10)22-14/h3-7H,2H2,1H3,(H,18,20)(H2,16,17,19,21)
InChIKeyGSOQFYSWZUCISF-UHFFFAOYSA-N
XLogP2.19
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide
CID 5327096
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
8-(2-Azanyl-1,3-Thiazol-4-Yl)-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567105
1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea
CID 482056
N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 1204786
N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 2463754
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
1-[4-(3-Methylbutyl)-5-Oxo-6-(Pyridin-3-Yl)-4,5-Dihydro[1,3]thiazolo[5,4-B]pyridin-2-Yl]-3-Prop-2-En-1-Ylurea
CID 71816193
2-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660463

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The IUPAC name of 1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (CID 86579484) is 1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)[nH]c2s1.
What is the InChIKey of 1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The InChIKey is GSOQFYSWZUCISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-2-16-13(21)19-14-17-10-6-9(8-4-3-5-15-7-8)11(20)18-12(10)22-14/h3-7H,2H2,1H3,(H,18,20)(H2,16,17,19,21).
What are the key properties of 1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea has a molecular weight of 315.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-oxo-6-pyridin-3-yl-4H-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is sourced from PubChem (CID 86579484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).