2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine

C102H139Cl2N13O2S5 — CID 158795285

IUPAC2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
SMILESC.C.C.C.C.CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1.COc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H26ClN3OS.C20H24ClN3S.C20H25N3S.C18H22N2OS.C18H22N2S.5CH4/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26;1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23;1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20;1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;;;;;/h1-2,4-7,16,26H,3,8-15H2;2-3,5-8,15H,4,9-14H2,1H3;2-5,7-10H,6,11-16H2,1H3;4-5,7-10,13H,6,11-12H2,1-3H3;4-11,14H,12-13H2,1-3H3;5*1H4
InChIKeyISUGXTCWQJTJBR-UHFFFAOYSA-N
MW1810.56 g/mol
LogP24.37
Rot. Bonds23

About 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine

2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine (PubChem CID 158795285) has the molecular formula C102H139Cl2N13O2S5 and a molecular weight of 1810.56 g/mol. Its IUPAC name is 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine.

Molecular Properties

Compound Name2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
PubChem CID158795285
Molecular FormulaC102H139Cl2N13O2S5
Molecular Weight1810.56 g/mol
Exact Mass1807.92
IUPAC Name2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
SMILESC.C.C.C.C.CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1.COc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H26ClN3OS.C20H24ClN3S.C20H25N3S.C18H22N2OS.C18H22N2S.5CH4/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26;1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23;1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20;1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;;;;;/h1-2,4-7,16,26H,3,8-15H2;2-3,5-8,15H,4,9-14H2,1H3;2-5,7-10H,6,11-16H2,1H3;4-5,7-10,13H,6,11-12H2,1-3H3;4-11,14H,12-13H2,1-3H3;5*1H4
InChIKeyISUGXTCWQJTJBR-UHFFFAOYSA-N
XLogP24.37
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001810.56
LogP ≤ 524.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

Analyze 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine with MolForge

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Related Compounds

3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 18847
2,3-dihydroxybutanedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 90213954
3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;10-[3-(4-hydroxypiperazin-1-yl)propyl]phenothiazine-2-carbonitrile;methane;N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
CID 160997687
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
(Z)-but-2-enedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 6420056
but-2-enedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 53395205
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;10H-phenothiazine
CID 18787839
2-[2-[4-[(2S)-3-(2-chlorophenothiazin-10-yl)-2-methylpropyl]piperazin-1-yl]ethoxy]ethanol
CID 92774175
bis((Z)-but-2-enedioic acid);bis(2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine)
CID 173171590
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;pentanoate
CID 131740566
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile
CID 135356066
10-[3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile;2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol
CID 174902133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine?
The IUPAC name of 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine (CID 158795285) is 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine.
What is the SMILES notation for 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine?
The canonical SMILES for 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine is C.C.C.C.C.CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1.COc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.
What is the InChIKey of 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine?
The InChIKey is ISUGXTCWQJTJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3OS.C20H24ClN3S.C20H25N3S.C18H22N2OS.C18H22N2S.5CH4/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26;1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23;1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20;1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;;;;;/h1-2,4-7,16,26H,3,8-15H2;2-3,5-8,15H,4,9-14H2,1H3;2-5,7-10H,6,11-16H2,1H3;4-5,7-10,13H,6,11-12H2,1-3H3;4-11,14H,12-13H2,1-3H3;5*1H4.
What are the key properties of 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine?
2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine has a molecular weight of 1810.56 g/mol, XLogP of 24.37, 23 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine is sourced from PubChem (CID 158795285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).