N-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride

C18H22ClN5OS — CID 3048186

IUPACN-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)N1c2ccccc2Sc2cccnc21
InChIInChI=1S/C18H21N5OS.ClH/c24-18(21-10-13-22-11-8-19-9-12-22)23-14-4-1-2-5-15(14)25-16-6-3-7-20-17(16)23;/h1-7,19H,8-13H2,(H,21,24);1H
InChIKeyNPMLYZOSMYWZQV-UHFFFAOYSA-N
MW391.93 g/mol
LogP2.72
Rot. Bonds3

About N-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride

N-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride (PubChem CID 3048186) has the molecular formula C18H22ClN5OS and a molecular weight of 391.93 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride
PubChem CID3048186
Molecular FormulaC18H22ClN5OS
Molecular Weight391.93 g/mol
Exact Mass391.12
IUPAC NameN-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)N1c2ccccc2Sc2cccnc21
InChIInChI=1S/C18H21N5OS.ClH/c24-18(21-10-13-22-11-8-19-9-12-22)23-14-4-1-2-5-15(14)25-16-6-3-7-20-17(16)23;/h1-7,19H,8-13H2,(H,21,24);1H
InChIKeyNPMLYZOSMYWZQV-UHFFFAOYSA-N
XLogP2.72
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.93
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride (CID 3048186) is N-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)N1c2ccccc2Sc2cccnc21.
What is the InChIKey of N-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride?
The InChIKey is NPMLYZOSMYWZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS.ClH/c24-18(21-10-13-22-11-8-19-9-12-22)23-14-4-1-2-5-15(14)25-16-6-3-7-20-17(16)23;/h1-7,19H,8-13H2,(H,21,24);1H.
What are the key properties of N-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride?
N-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride has a molecular weight of 391.93 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide;hydrochloride is sourced from PubChem (CID 3048186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).