[3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol

C19H19N5O2S — CID 123673573

IUPAC[3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol
SMILESOCC1=CC(c2nc(N3CCOCC3)c3sc4nccnc4c3n2)=CCC1
InChIInChI=1S/C19H19N5O2S/c25-11-12-2-1-3-13(10-12)17-22-14-15-19(21-5-4-20-15)27-16(14)18(23-17)24-6-8-26-9-7-24/h3-5,10,25H,1-2,6-9,11H2
InChIKeyJGHVGOUCKCVRCK-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.57
Rot. Bonds3

About [3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol

[3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 123673573) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is [3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol
PubChem CID123673573
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name[3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol
SMILESOCC1=CC(c2nc(N3CCOCC3)c3sc4nccnc4c3n2)=CCC1
InChIInChI=1S/C19H19N5O2S/c25-11-12-2-1-3-13(10-12)17-22-14-15-19(21-5-4-20-15)27-16(14)18(23-17)24-6-8-26-9-7-24/h3-5,10,25H,1-2,6-9,11H2
InChIKeyJGHVGOUCKCVRCK-UHFFFAOYSA-N
XLogP2.57
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol 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

2-(4-methylpiperazin-1-yl)-N-[4-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)phenyl]acetamide
CID 51002062
6-thiomorpholin-4-yl-8-thia-3,4,5,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 53466643
N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine
CID 53469553
4-(4-pyridin-3-yl-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine
CID 57334271
ethyl 11-(2-aminopyrimidin-5-yl)-9-morpholin-4-yl-7-thia-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-4-carboxylate
CID 56838921
5-(2-methyl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)pyrimidin-2-amine
CID 143782763
4-(13-pyrrolidin-1-yl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-8-yl)morpholine
CID 3657822
3-(6-morpholin-4-yl-8-thia-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-4-yl)phenol
CID 56838481
3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 59829345
4-[4-(1H-indol-4-yl)-12-(morpholin-4-ylmethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine
CID 66927629
4-(15-methyl-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-yl)morpholine
CID 166597405
6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde
CID 23559441

Frequently Asked Questions

What is the IUPAC name of [3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol (CID 123673573) is [3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol is OCC1=CC(c2nc(N3CCOCC3)c3sc4nccnc4c3n2)=CCC1.
What is the InChIKey of [3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is JGHVGOUCKCVRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-11-12-2-1-3-13(10-12)17-22-14-15-19(21-5-4-20-15)27-16(14)18(23-17)24-6-8-26-9-7-24/h3-5,10,25H,1-2,6-9,11H2.
What are the key properties of [3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol?
[3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 381.46 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-morpholin-4-yl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 123673573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).