3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

C14H14N2O2S — CID 10016178

IUPAC3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESCOc1ccc2c(c1)-c1sc(C(N)=O)c(N)c1CC2
InChIInChI=1S/C14H14N2O2S/c1-18-8-4-2-7-3-5-9-11(15)13(14(16)17)19-12(9)10(7)6-8/h2,4,6H,3,5,15H2,1H3,(H2,16,17)
InChIKeyPAKBZLUATPAKPY-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.20
Rot. Bonds2

About 3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (PubChem CID 10016178) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.

Molecular Properties

Compound Name3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
PubChem CID10016178
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESCOc1ccc2c(c1)-c1sc(C(N)=O)c(N)c1CC2
InChIInChI=1S/C14H14N2O2S/c1-18-8-4-2-7-3-5-9-11(15)13(14(16)17)19-12(9)10(7)6-8/h2,4,6H,3,5,15H2,1H3,(H2,16,17)
InChIKeyPAKBZLUATPAKPY-UHFFFAOYSA-N
XLogP2.20
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide 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

(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
(8-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 24720302
2-[(6-methoxy-2,3-dihydroinden-1-ylidene)amino]guanidine
CID 79368772
ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate
CID 104503384
3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 83034674
2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid
CID 19048915
N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 92761253
3-amino-4,6-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 984123
methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 2739690
7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one
CID 59419878
8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 46082980
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983

Frequently Asked Questions

What is the IUPAC name of 3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The IUPAC name of 3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (CID 10016178) is 3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.
What is the SMILES notation for 3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The canonical SMILES for 3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is COc1ccc2c(c1)-c1sc(C(N)=O)c(N)c1CC2.
What is the InChIKey of 3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The InChIKey is PAKBZLUATPAKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-8-4-2-7-3-5-9-11(15)13(14(16)17)19-12(9)10(7)6-8/h2,4,6H,3,5,15H2,1H3,(H2,16,17).
What are the key properties of 3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is sourced from PubChem (CID 10016178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).