2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine

C67H87ClF3N9S3 — CID 165091740

IUPAC2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine
SMILESC.CCCN1CCN(CCCN2c3ccccc3Sc3ccc(C)cc32)CC1.CCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C23H31N3S.C22H28ClN3S.C21H24F3N3S.CH4/c1-3-11-24-14-16-25(17-15-24)12-6-13-26-20-7-4-5-8-22(20)27-23-10-9-19(2)18-21(23)26;1-2-10-24-13-15-25(16-14-24)11-5-12-26-19-6-3-4-7-21(19)27-22-9-8-18(23)17-20(22)26;1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;/h4-5,7-10,18H,3,6,11-17H2,1-2H3;3-4,6-9,17H,2,5,10-16H2,1H3;2-3,5-8,15H,4,9-14H2,1H3;1H4
InChIKeyWVBOUCDAEIJJNU-UHFFFAOYSA-N
MW1207.14 g/mol
LogP15.96
Rot. Bonds16

About 2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine

2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine (PubChem CID 165091740) has the molecular formula C67H87ClF3N9S3 and a molecular weight of 1207.14 g/mol. Its IUPAC name is 2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine.

Molecular Properties

Compound Name2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine
PubChem CID165091740
Molecular FormulaC67H87ClF3N9S3
Molecular Weight1207.14 g/mol
Exact Mass1205.59
IUPAC Name2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine
SMILESC.CCCN1CCN(CCCN2c3ccccc3Sc3ccc(C)cc32)CC1.CCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C23H31N3S.C22H28ClN3S.C21H24F3N3S.CH4/c1-3-11-24-14-16-25(17-15-24)12-6-13-26-20-7-4-5-8-22(20)27-23-10-9-19(2)18-21(23)26;1-2-10-24-13-15-25(16-14-24)11-5-12-26-19-6-3-4-7-21(19)27-22-9-8-18(23)17-20(22)26;1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;/h4-5,7-10,18H,3,6,11-17H2,1-2H3;3-4,6-9,17H,2,5,10-16H2,1H3;2-3,5-8,15H,4,9-14H2,1H3;1H4
InChIKeyWVBOUCDAEIJJNU-UHFFFAOYSA-N
XLogP15.96
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.14
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine with MolForge

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Related Compounds

10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 58645990
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 2913535
10-[4-(4-methylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
CID 139567030
10-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)phenothiazine
CID 6431810
(E)-but-2-enedioic acid;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 6504828
10-(3-pyrrolidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 21333443
10-[3-[4-(2-butoxyethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 54600907
N'-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 25010340
1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine
CID 143153499
10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 24841513
bis((Z)-but-2-enedioic acid);2-methyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
CID 25111881
bis((Z)-but-2-enedioic acid);bis(2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine)
CID 173171590

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine?
The IUPAC name of 2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine (CID 165091740) is 2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine.
What is the SMILES notation for 2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine?
The canonical SMILES for 2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine is C.CCCN1CCN(CCCN2c3ccccc3Sc3ccc(C)cc32)CC1.CCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.
What is the InChIKey of 2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine?
The InChIKey is WVBOUCDAEIJJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3S.C22H28ClN3S.C21H24F3N3S.CH4/c1-3-11-24-14-16-25(17-15-24)12-6-13-26-20-7-4-5-8-22(20)27-23-10-9-19(2)18-21(23)26;1-2-10-24-13-15-25(16-14-24)11-5-12-26-19-6-3-4-7-21(19)27-22-9-8-18(23)17-20(22)26;1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;/h4-5,7-10,18H,3,6,11-17H2,1-2H3;3-4,6-9,17H,2,5,10-16H2,1H3;2-3,5-8,15H,4,9-14H2,1H3;1H4.
What are the key properties of 2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine?
2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine has a molecular weight of 1207.14 g/mol, XLogP of 15.96, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine is sourced from PubChem (CID 165091740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).