N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide

C22H23N5O3S — CID 71788133

IUPACN-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)CN1CCc2nc(NC(=O)c3ccccn3)sc2C1
InChIInChI=1S/C22H23N5O3S/c1-2-30-18-9-4-3-7-15(18)24-20(28)14-27-12-10-16-19(13-27)31-22(25-16)26-21(29)17-8-5-6-11-23-17/h3-9,11H,2,10,12-14H2,1H3,(H,24,28)(H,25,26,29)
InChIKeyKHEIBLABHHMBHW-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.19
Rot. Bonds7

About N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide

N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (PubChem CID 71788133) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
PubChem CID71788133
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)CN1CCc2nc(NC(=O)c3ccccn3)sc2C1
InChIInChI=1S/C22H23N5O3S/c1-2-30-18-9-4-3-7-15(18)24-20(28)14-27-12-10-16-19(13-27)31-22(25-16)26-21(29)17-8-5-6-11-23-17/h3-9,11H,2,10,12-14H2,1H3,(H,24,28)(H,25,26,29)
InChIKeyKHEIBLABHHMBHW-UHFFFAOYSA-N
XLogP3.19
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (CID 71788133) is N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is CCOc1ccccc1NC(=O)CN1CCc2nc(NC(=O)c3ccccn3)sc2C1.
What is the InChIKey of N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?
The InChIKey is KHEIBLABHHMBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-2-30-18-9-4-3-7-15(18)24-20(28)14-27-12-10-16-19(13-27)31-22(25-16)26-21(29)17-8-5-6-11-23-17/h3-9,11H,2,10,12-14H2,1H3,(H,24,28)(H,25,26,29).
What are the key properties of N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?
N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71788133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).