N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C16H23N5O2S — CID 53050025

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCCN1CCN(C(=O)CNC(=O)N2CCSc3ncccc32)CC1
InChIInChI=1S/C16H23N5O2S/c1-2-19-6-8-20(9-7-19)14(22)12-18-16(23)21-10-11-24-15-13(21)4-3-5-17-15/h3-5H,2,6-12H2,1H3,(H,18,23)
InChIKeyAPZIOEKNKDGORL-UHFFFAOYSA-N
MW349.46 g/mol
LogP0.87
Rot. Bonds3

About N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 53050025) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID53050025
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCCN1CCN(C(=O)CNC(=O)N2CCSc3ncccc32)CC1
InChIInChI=1S/C16H23N5O2S/c1-2-19-6-8-20(9-7-19)14(22)12-18-16(23)21-10-11-24-15-13(21)4-3-5-17-15/h3-5H,2,6-12H2,1H3,(H,18,23)
InChIKeyAPZIOEKNKDGORL-UHFFFAOYSA-N
XLogP0.87
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920690
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050024
N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920699
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921257
N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921300
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1-methylpyrido[2,3-b][1,4]thiazin-2-one
CID 53148497
4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
CID 46279545
N-[3-(butan-2-ylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921133
N-(3-chloro-2-methylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279520
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921120
N-[4-[2-oxo-2-(3-propylsulfanylpropylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921288
N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921101

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 53050025) is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is CCN1CCN(C(=O)CNC(=O)N2CCSc3ncccc32)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is APZIOEKNKDGORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-2-19-6-8-20(9-7-19)14(22)12-18-16(23)21-10-11-24-15-13(21)4-3-5-17-15/h3-5H,2,6-12H2,1H3,(H,18,23).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 53050025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).