3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene

C19H21N3S — CID 39203310

IUPAC3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene
SMILESCc1c(-c2ccc3c(c2)CCCC3)nc2sc3c(n12)CCNC3
InChIInChI=1S/C19H21N3S/c1-12-18(15-7-6-13-4-2-3-5-14(13)10-15)21-19-22(12)16-8-9-20-11-17(16)23-19/h6-7,10,20H,2-5,8-9,11H2,1H3
InChIKeyYFSLMBZQLYYNPT-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.90
Rot. Bonds1

About 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene

3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene (PubChem CID 39203310) has the molecular formula C19H21N3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene.

Molecular Properties

Compound Name3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene
PubChem CID39203310
Molecular FormulaC19H21N3S
Molecular Weight323.46 g/mol
Exact Mass323.15
IUPAC Name3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene
SMILESCc1c(-c2ccc3c(c2)CCCC3)nc2sc3c(n12)CCNC3
InChIInChI=1S/C19H21N3S/c1-12-18(15-7-6-13-4-2-3-5-14(13)10-15)21-19-22(12)16-8-9-20-11-17(16)23-19/h6-7,10,20H,2-5,8-9,11H2,1H3
InChIKeyYFSLMBZQLYYNPT-UHFFFAOYSA-N
XLogP3.90
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene 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-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83092009
2,3-dimethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068493
3,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-6-amine
CID 82060083
ethyl 5-formyl-3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036074
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 8878238
3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035242
[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 82049669
[6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219881
N,5-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 39359852
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194938
4-(4-propan-2-ylphenyl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene
CID 39200779
[2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219575

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene?
The IUPAC name of 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene (CID 39203310) is 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene.
What is the SMILES notation for 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene?
The canonical SMILES for 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene is Cc1c(-c2ccc3c(c2)CCCC3)nc2sc3c(n12)CCNC3.
What is the InChIKey of 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene?
The InChIKey is YFSLMBZQLYYNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-12-18(15-7-6-13-4-2-3-5-14(13)10-15)21-19-22(12)16-8-9-20-11-17(16)23-19/h6-7,10,20H,2-5,8-9,11H2,1H3.
What are the key properties of 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene?
3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene has a molecular weight of 323.46 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene is sourced from PubChem (CID 39203310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).