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

C14H11N5OS — CID 86575838

IUPAC1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESC=CNC(=O)Nc1nc2cc(-c3cccnc3)cnc2s1
InChIInChI=1S/C14H11N5OS/c1-2-16-13(20)19-14-18-11-6-10(8-17-12(11)21-14)9-4-3-5-15-7-9/h2-8H,1H2,(H2,16,18,19,20)
InChIKeyWRJWXBOZBBHNMW-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.02
Rot. Bonds3

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

1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (PubChem CID 86575838) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
PubChem CID86575838
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESC=CNC(=O)Nc1nc2cc(-c3cccnc3)cnc2s1
InChIInChI=1S/C14H11N5OS/c1-2-16-13(20)19-14-18-11-6-10(8-17-12(11)21-14)9-4-3-5-15-7-9/h2-8H,1H2,(H2,16,18,19,20)
InChIKeyWRJWXBOZBBHNMW-UHFFFAOYSA-N
XLogP3.02
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(ethylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-2-pyridinyl]-2-[ethyl-[(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamoyl]amino]acetamide
CID 90693487
N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide
CID 59352848
ethane;1-ethyl-3-(7-methyl-5-pyridin-3-yl-1,3-benzothiazol-2-yl)urea
CID 143598440
1-ethyl-3-[6-[6-(ethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 89172913
1-[5-(2-aminopyrimidin-5-yl)-7-pyridin-3-yl-1,3-benzothiazol-2-yl]-3-ethylurea
CID 24864399
1-[6-(2-methoxyethoxy)-5-pyridin-3-yl-1,3-benzothiazol-2-yl]-3-prop-2-enylurea
CID 86575925
1-ethyl-3-[7-(hydrazinecarbonyl)-5-pyridin-3-yl-1,3-benzothiazol-2-yl]urea;methyl 2-(ethylcarbamoylamino)-5-pyridin-3-yl-1,3-benzothiazole-7-carboxylate
CID 160891760
1-ethyl-3-[5-[4-(hydroxymethyl)phenyl]-7-pyridin-3-yl-1,3-benzothiazol-2-yl]urea
CID 24864583
6-pyridin-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-amine
CID 90467781
N-(2-methyl-5-pyridin-3-yl-3-pyridinyl)acetamide
CID 176579518
1-[5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-7-pyridin-3-yl-1,3-benzothiazol-2-yl]-3-ethylurea;ethane
CID 143598428
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide
CID 44553526

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The IUPAC name of 1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (CID 86575838) is 1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.
What is the SMILES notation for 1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The canonical SMILES for 1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is C=CNC(=O)Nc1nc2cc(-c3cccnc3)cnc2s1.
What is the InChIKey of 1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The InChIKey is WRJWXBOZBBHNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c1-2-16-13(20)19-14-18-11-6-10(8-17-12(11)21-14)9-4-3-5-15-7-9/h2-8H,1H2,(H2,16,18,19,20).
What are the key properties of 1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea has a molecular weight of 297.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is sourced from PubChem (CID 86575838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).