(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol

C14H16N2S — CID 82449929

IUPAC(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
SMILESCN1CCc2nc3ccccc3c(CS)c2C1
InChIInChI=1S/C14H16N2S/c1-16-7-6-14-11(8-16)12(9-17)10-4-2-3-5-13(10)15-14/h2-5,17H,6-9H2,1H3
InChIKeyUBFIGGHIZOEZCM-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.65
Rot. Bonds1

About (2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol

(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol (PubChem CID 82449929) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol.

Molecular Properties

Compound Name(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
PubChem CID82449929
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
SMILESCN1CCc2nc3ccccc3c(CS)c2C1
InChIInChI=1S/C14H16N2S/c1-16-7-6-14-11(8-16)12(9-17)10-4-2-3-5-13(10)15-14/h2-5,17H,6-9H2,1H3
InChIKeyUBFIGGHIZOEZCM-UHFFFAOYSA-N
XLogP2.65
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol 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

N-methyl-1-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82449912
(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
CID 82450181
2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 933509
(8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
CID 82451326
N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)cyclopropanecarboxamide
CID 167755688
(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450182
1-(8-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82450491
(2-anilino-2-oxoethyl) 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23915561
N-[(2,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-2-amine
CID 82450376
[2-(4-methoxyphenyl)-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 2424741
9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine
CID 139838749
2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile
CID 82451023

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol?
The IUPAC name of (2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol (CID 82449929) is (2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol.
What is the SMILES notation for (2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol?
The canonical SMILES for (2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol is CN1CCc2nc3ccccc3c(CS)c2C1.
What is the InChIKey of (2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol?
The InChIKey is UBFIGGHIZOEZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-16-7-6-14-11(8-16)12(9-17)10-4-2-3-5-13(10)15-14/h2-5,17H,6-9H2,1H3.
What are the key properties of (2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol?
(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol has a molecular weight of 244.36 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol is sourced from PubChem (CID 82449929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).