3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine

C18H20ClN3S — CID 110175027

IUPAC3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine
SMILESClc1cnc2c(c1)Sc1ccccc1N2CCN1CCCCC1
InChIInChI=1S/C18H20ClN3S/c19-14-12-17-18(20-13-14)22(11-10-21-8-4-1-5-9-21)15-6-2-3-7-16(15)23-17/h2-3,6-7,12-13H,1,4-5,8-11H2
InChIKeyTURUEZOFFXTJDU-UHFFFAOYSA-N
MW345.90 g/mol
LogP4.82
Rot. Bonds3

About 3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine

3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine (PubChem CID 110175027) has the molecular formula C18H20ClN3S and a molecular weight of 345.90 g/mol. Its IUPAC name is 3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine
PubChem CID110175027
Molecular FormulaC18H20ClN3S
Molecular Weight345.90 g/mol
Exact Mass345.11
IUPAC Name3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine
SMILESClc1cnc2c(c1)Sc1ccccc1N2CCN1CCCCC1
InChIInChI=1S/C18H20ClN3S/c19-14-12-17-18(20-13-14)22(11-10-21-8-4-1-5-9-21)15-6-2-3-7-16(15)23-17/h2-3,6-7,12-13H,1,4-5,8-11H2
InChIKeyTURUEZOFFXTJDU-UHFFFAOYSA-N
XLogP4.82
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110174989
10-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)hexyl]pyrido[3,2-b][1,4]benzothiazine
CID 127029435
2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine
CID 91465268
10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine
CID 15882871
9-(2-pyrrolidin-1-ylethyl)-2-thia-5,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 46702209
cyclopentane;dimethyl-bis(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)azanium
CID 68631133
1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 121238698
2-chloro-10-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]phenothiazine
CID 135251810
2-chloro-10-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]phenothiazine
CID 135251804
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
10-(3-pyrrolidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 21333443
10-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)phenothiazine
CID 6431810

Frequently Asked Questions

What is the IUPAC name of 3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine?
The IUPAC name of 3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine (CID 110175027) is 3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine?
The canonical SMILES for 3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine is Clc1cnc2c(c1)Sc1ccccc1N2CCN1CCCCC1.
What is the InChIKey of 3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine?
The InChIKey is TURUEZOFFXTJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3S/c19-14-12-17-18(20-13-14)22(11-10-21-8-4-1-5-9-21)15-6-2-3-7-16(15)23-17/h2-3,6-7,12-13H,1,4-5,8-11H2.
What are the key properties of 3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine?
3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine has a molecular weight of 345.90 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 110175027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).