3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine

C16H18ClN3S — CID 139362521

IUPAC3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1c2ccc(Cl)cc2Sc2cccnc21
InChIInChI=1S/C16H18ClN3S/c1-19(2)9-4-10-20-13-7-6-12(17)11-15(13)21-14-5-3-8-18-16(14)20/h3,5-8,11H,4,9-10H2,1-2H3
InChIKeyYETGQVLRADCOBK-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.29
Rot. Bonds4

About 3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine

3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine (PubChem CID 139362521) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine
PubChem CID139362521
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1c2ccc(Cl)cc2Sc2cccnc21
InChIInChI=1S/C16H18ClN3S/c1-19(2)9-4-10-20-13-7-6-12(17)11-15(13)21-14-5-3-8-18-16(14)20/h3,5-8,11H,4,9-10H2,1-2H3
InChIKeyYETGQVLRADCOBK-UHFFFAOYSA-N
XLogP4.29
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride
CID 71587927
1-[10-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazin-7-yl]ethanone;hydrochloride
CID 110174629
3-pyrido[3,2-b][1,4]benzothiazin-10-yl-N,N-bis(trideuteriomethyl)propan-1-amine
CID 71751860
N,N-dimethyl-3-(18-thia-11,13-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl)propan-1-amine
CID 110174266
3-[4-[3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]propanenitrile
CID 110174626
3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine
CID 15586684
but-2-enedioic acid;3-(8-chloro-6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)-N,N-dimethylpropan-1-amine
CID 70491500
dimethyl-bis(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)azanium
CID 68631134
3-(3-chlorophenothiazin-10-yl)propan-1-ol
CID 163458253
N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
CID 110178852
3-[9-[3-(dimethylamino)propyl]-5-nitro-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-2-yl]-N,N-dimethylpropan-1-amine
CID 11761176
acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol
CID 71438522

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine (CID 139362521) is 3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCN1c2ccc(Cl)cc2Sc2cccnc21.
What is the InChIKey of 3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is YETGQVLRADCOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-19(2)9-4-10-20-13-7-6-12(17)11-15(13)21-14-5-3-8-18-16(14)20/h3,5-8,11H,4,9-10H2,1-2H3.
What are the key properties of 3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine?
3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 319.86 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 139362521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).