N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine

C14H15IN2OS — CID 82690370

IUPACN-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine
SMILESCOc1ncccc1NC1CCCc2sc(I)cc21
InChIInChI=1S/C14H15IN2OS/c1-18-14-11(5-3-7-16-14)17-10-4-2-6-12-9(10)8-13(15)19-12/h3,5,7-8,10,17H,2,4,6H2,1H3
InChIKeyWXABTEDVOCYRCS-UHFFFAOYSA-N
MW386.26 g/mol
LogP4.25
Rot. Bonds3

About N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine

N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine (PubChem CID 82690370) has the molecular formula C14H15IN2OS and a molecular weight of 386.26 g/mol. Its IUPAC name is N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine
PubChem CID82690370
Molecular FormulaC14H15IN2OS
Molecular Weight386.26 g/mol
Exact Mass385.99
IUPAC NameN-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine
SMILESCOc1ncccc1NC1CCCc2sc(I)cc21
InChIInChI=1S/C14H15IN2OS/c1-18-14-11(5-3-7-16-14)17-10-4-2-6-12-9(10)8-13(15)19-12/h3,5,7-8,10,17H,2,4,6H2,1H3
InChIKeyWXABTEDVOCYRCS-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine 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-iodo-N-[(2-methoxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82689733
N-cyclopentyl-2-methoxypyridin-3-amine
CID 43721756
2-methoxy-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
CID 79366034
2-iodo-N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686767
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine
CID 81252058
2-iodo-N-(3-iodophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686752
N-(3,5-dimethylphenyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687230
2-iodo-N-[(1R)-1-pyridin-3-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82696628
2-iodo-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686530
2-iodo-N-thiophen-3-yl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690069
N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687105
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyridin-3-amine
CID 79248518

Frequently Asked Questions

What is the IUPAC name of N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine?
The IUPAC name of N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine (CID 82690370) is N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine.
What is the SMILES notation for N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine?
The canonical SMILES for N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine is COc1ncccc1NC1CCCc2sc(I)cc21.
What is the InChIKey of N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine?
The InChIKey is WXABTEDVOCYRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2OS/c1-18-14-11(5-3-7-16-14)17-10-4-2-6-12-9(10)8-13(15)19-12/h3,5,7-8,10,17H,2,4,6H2,1H3.
What are the key properties of N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine?
N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine has a molecular weight of 386.26 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-methoxypyridin-3-amine is sourced from PubChem (CID 82690370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).