8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol

C17H19ClN2O2S — CID 12519492

IUPAC8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol
SMILESCN(C)CCCN1c2cc(Cl)ccc2Sc2cc(O)cc(O)c21
InChIInChI=1S/C17H19ClN2O2S/c1-19(2)6-3-7-20-13-8-11(18)4-5-15(13)23-16-10-12(21)9-14(22)17(16)20/h4-5,8-10,21-22H,3,6-7H2,1-2H3
InChIKeyBBWSVTCVXZFMQE-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.31
Rot. Bonds4

About 8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol

8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol (PubChem CID 12519492) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol.

Molecular Properties

Compound Name8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol
PubChem CID12519492
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol
SMILESCN(C)CCCN1c2cc(Cl)ccc2Sc2cc(O)cc(O)c21
InChIInChI=1S/C17H19ClN2O2S/c1-19(2)6-3-7-20-13-8-11(18)4-5-15(13)23-16-10-12(21)9-14(22)17(16)20/h4-5,8-10,21-22H,3,6-7H2,1-2H3
InChIKeyBBWSVTCVXZFMQE-UHFFFAOYSA-N
XLogP4.31
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride
CID 139024765
acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol
CID 71438522
N,N-dimethyl-3-[7-(trifluoromethyl)thieno[3,4-b][1,4]benzothiazin-9-yl]propan-1-amine
CID 15555808
3-(8-chloro-1,2,3,4-tetradeuteriophenothiazin-10-yl)-N,N-bis(trideuteriomethyl)propan-1-amine
CID 46198787
3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
CID 129318631
3-(2-chlorophenothiazin-10-yl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)propan-1-amine;hydrochloride
CID 71314834
10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol
CID 57369155
3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;1-[10-[3-(dimethylamino)-2-methylpropyl]phenothiazin-2-yl]ethanone;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 159357848
5-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylmethylidene)-3-octyl-1,3-benzothiazole
CID 71017195
3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
CID 163912126
3-(2-chlorophenothiazin-10-yl)-N-dimethoxyphosphoryl-N-methylpropan-1-amine
CID 58600270
3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 139362521

Frequently Asked Questions

What is the IUPAC name of 8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol?
The IUPAC name of 8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol (CID 12519492) is 8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol.
What is the SMILES notation for 8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol?
The canonical SMILES for 8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol is CN(C)CCCN1c2cc(Cl)ccc2Sc2cc(O)cc(O)c21.
What is the InChIKey of 8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol?
The InChIKey is BBWSVTCVXZFMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-19(2)6-3-7-20-13-8-11(18)4-5-15(13)23-16-10-12(21)9-14(22)17(16)20/h4-5,8-10,21-22H,3,6-7H2,1-2H3.
What are the key properties of 8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol?
8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol has a molecular weight of 350.87 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol is sourced from PubChem (CID 12519492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).