2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol

C16H19N5O2S — CID 53370540

IUPAC2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol
SMILESCc1cc(N2CCOCC2)nc2sc3c(NCCO)ncnc3c12
InChIInChI=1S/C16H19N5O2S/c1-10-8-11(21-3-6-23-7-4-21)20-16-12(10)13-14(24-16)15(17-2-5-22)19-9-18-13/h8-9,22H,2-7H2,1H3,(H,17,18,19)
InChIKeyFZFHNCPYFXDCAO-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.79
Rot. Bonds4

About 2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol

2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol (PubChem CID 53370540) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol
PubChem CID53370540
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol
SMILESCc1cc(N2CCOCC2)nc2sc3c(NCCO)ncnc3c12
InChIInChI=1S/C16H19N5O2S/c1-10-8-11(21-3-6-23-7-4-21)20-16-12(10)13-14(24-16)15(17-2-5-22)19-9-18-13/h8-9,22H,2-7H2,1H3,(H,17,18,19)
InChIKeyFZFHNCPYFXDCAO-UHFFFAOYSA-N
XLogP1.79
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 53369107
4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine
CID 53368738
5-[(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]pentan-1-ol
CID 110432218
5,13-dimethyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 53368200
8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 1237643
N-(3-methylbutyl)-8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 3447903
ethyl 2-(13-methyl-11-morpholin-4-yl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetate
CID 53370861
6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 53370778
N-(2-morpholin-4-ylethyl)-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 2004071
N'-(4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)ethane-1,2-diamine
CID 3301343
N-(2,2-dimethoxyethyl)-7-morpholin-4-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
CID 4285334
2-[(5-bromo-6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880693

Frequently Asked Questions

What is the IUPAC name of 2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol?
The IUPAC name of 2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol (CID 53370540) is 2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol.
What is the SMILES notation for 2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol?
The canonical SMILES for 2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol is Cc1cc(N2CCOCC2)nc2sc3c(NCCO)ncnc3c12.
What is the InChIKey of 2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol?
The InChIKey is FZFHNCPYFXDCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10-8-11(21-3-6-23-7-4-21)20-16-12(10)13-14(24-16)15(17-2-5-22)19-9-18-13/h8-9,22H,2-7H2,1H3,(H,17,18,19).
What are the key properties of 2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol?
2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol has a molecular weight of 345.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol is sourced from PubChem (CID 53370540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).