2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol

C17H16N8OS — CID 173469493

IUPAC2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol
SMILESNC=C(/C=N/CCO)c1ccc2nnn(Cc3nc4cccnc4s3)c2n1
InChIInChI=1S/C17H16N8OS/c18-8-11(9-19-6-7-26)12-3-4-13-16(22-12)25(24-23-13)10-15-21-14-2-1-5-20-17(14)27-15/h1-5,8-9,26H,6-7,10,18H2/b11-8?,19-9+
InChIKeyUKRVVZWENYUVFR-XJZQQEJGSA-N
MW380.44 g/mol
LogP1.24
Rot. Bonds6

About 2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol

2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol (PubChem CID 173469493) has the molecular formula C17H16N8OS and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol.

Molecular Properties

Compound Name2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol
PubChem CID173469493
Molecular FormulaC17H16N8OS
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol
SMILESNC=C(/C=N/CCO)c1ccc2nnn(Cc3nc4cccnc4s3)c2n1
InChIInChI=1S/C17H16N8OS/c18-8-11(9-19-6-7-26)12-3-4-13-16(22-12)25(24-23-13)10-15-21-14-2-1-5-20-17(14)27-15/h1-5,8-9,26H,6-7,10,18H2/b11-8?,19-9+
InChIKeyUKRVVZWENYUVFR-XJZQQEJGSA-N
XLogP1.24
TPSA127.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol?
The IUPAC name of 2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol (CID 173469493) is 2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol.
What is the SMILES notation for 2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol?
The canonical SMILES for 2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol is NC=C(/C=N/CCO)c1ccc2nnn(Cc3nc4cccnc4s3)c2n1.
What is the InChIKey of 2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol?
The InChIKey is UKRVVZWENYUVFR-XJZQQEJGSA-N. The full InChI is InChI=1S/C17H16N8OS/c18-8-11(9-19-6-7-26)12-3-4-13-16(22-12)25(24-23-13)10-15-21-14-2-1-5-20-17(14)27-15/h1-5,8-9,26H,6-7,10,18H2/b11-8?,19-9+.
What are the key properties of 2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol?
2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol has a molecular weight of 380.44 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol is sourced from PubChem (CID 173469493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).