14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one

C17H21N5OS — CID 143159954

IUPAC14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one
SMILESCN(C)C1=c2c(sc3c(=O)n(C4CCNCC4)cnc23)=NC=CC1
InChIInChI=1S/C17H21N5OS/c1-21(2)12-4-3-7-19-16-13(12)14-15(24-16)17(23)22(10-20-14)11-5-8-18-9-6-11/h3,7,10-11,18H,4-6,8-9H2,1-2H3
InChIKeyUPGUTCDTFVKUCE-UHFFFAOYSA-N
MW343.46 g/mol
LogP0.59
Rot. Bonds2

About 14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one

14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one (PubChem CID 143159954) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one.

Molecular Properties

Compound Name14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one
PubChem CID143159954
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one
SMILESCN(C)C1=c2c(sc3c(=O)n(C4CCNCC4)cnc23)=NC=CC1
InChIInChI=1S/C17H21N5OS/c1-21(2)12-4-3-7-19-16-13(12)14-15(24-16)17(23)22(10-20-14)11-5-8-18-9-6-11/h3,7,10-11,18H,4-6,8-9H2,1-2H3
InChIKeyUPGUTCDTFVKUCE-UHFFFAOYSA-N
XLogP0.59
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one 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

13-(dimethylamino)-5-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one;13-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 158600251
2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 156888845
3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine
CID 177194887
11-chloro-5-cyclohexyl-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one;5-cyclohexyl-13-(dimethylamino)-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one;methane;pyrrolidine
CID 161056899
(7R)-7-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 51494328
2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 156888741
2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 156888103
3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride
CID 154878953
13-(ethynylamino)-5-(4-methoxycyclohexyl)-11-methyl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-trien-6-one
CID 143488221
3-methyl-7-piperidin-4-ylpurine-2,6-dione
CID 82465471
5-cycloheptyl-13-pyrrol-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 143160527
13-bromo-5-(4-methoxycyclohexyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 143160268

Frequently Asked Questions

What is the IUPAC name of 14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one?
The IUPAC name of 14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one (CID 143159954) is 14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one.
What is the SMILES notation for 14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one?
The canonical SMILES for 14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one is CN(C)C1=c2c(sc3c(=O)n(C4CCNCC4)cnc23)=NC=CC1.
What is the InChIKey of 14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one?
The InChIKey is UPGUTCDTFVKUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-21(2)12-4-3-7-19-16-13(12)14-15(24-16)17(23)22(10-20-14)11-5-8-18-9-6-11/h3,7,10-11,18H,4-6,8-9H2,1-2H3.
What are the key properties of 14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one?
14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one has a molecular weight of 343.46 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),3,9,11-pentaen-6-one is sourced from PubChem (CID 143159954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).