2-ethoxy-N-(thian-4-yl)pyridin-3-amine

C12H18N2OS — CID 43706527

IUPAC2-ethoxy-N-(thian-4-yl)pyridin-3-amine
SMILESCCOc1ncccc1NC1CCSCC1
InChIInChI=1S/C12H18N2OS/c1-2-15-12-11(4-3-7-13-12)14-10-5-8-16-9-6-10/h3-4,7,10,14H,2,5-6,8-9H2,1H3
InChIKeyCFPVUHOMLIGVCI-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.79
Rot. Bonds4

About 2-ethoxy-N-(thian-4-yl)pyridin-3-amine

2-ethoxy-N-(thian-4-yl)pyridin-3-amine (PubChem CID 43706527) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-ethoxy-N-(thian-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-(thian-4-yl)pyridin-3-amine
PubChem CID43706527
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-ethoxy-N-(thian-4-yl)pyridin-3-amine
SMILESCCOc1ncccc1NC1CCSCC1
InChIInChI=1S/C12H18N2OS/c1-2-15-12-11(4-3-7-13-12)14-10-5-8-16-9-6-10/h3-4,7,10,14H,2,5-6,8-9H2,1H3
InChIKeyCFPVUHOMLIGVCI-UHFFFAOYSA-N
XLogP2.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-N-(thian-4-yl)pyridin-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

N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine
CID 64734172
3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine
CID 79462625
2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine
CID 107131580
2-chloro-N-(thian-4-yl)pyridin-3-amine
CID 43690107
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine
CID 43706292
N-cyclopentyl-2-methoxypyridin-3-amine
CID 43721756
N-cyclopentyl-1-ethoxyisoquinolin-5-amine
CID 82572606
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine
CID 81252058
2-(cyclopropylamino)-N-(2-ethoxy-3-pyridinyl)acetamide
CID 54923945
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691
2-pyrrolidin-1-yl-N-(thian-4-yl)pyridin-3-amine
CID 43676508
2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
CID 65044228

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(thian-4-yl)pyridin-3-amine?
The IUPAC name of 2-ethoxy-N-(thian-4-yl)pyridin-3-amine (CID 43706527) is 2-ethoxy-N-(thian-4-yl)pyridin-3-amine.
What is the SMILES notation for 2-ethoxy-N-(thian-4-yl)pyridin-3-amine?
The canonical SMILES for 2-ethoxy-N-(thian-4-yl)pyridin-3-amine is CCOc1ncccc1NC1CCSCC1.
What is the InChIKey of 2-ethoxy-N-(thian-4-yl)pyridin-3-amine?
The InChIKey is CFPVUHOMLIGVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-15-12-11(4-3-7-13-12)14-10-5-8-16-9-6-10/h3-4,7,10,14H,2,5-6,8-9H2,1H3.
What are the key properties of 2-ethoxy-N-(thian-4-yl)pyridin-3-amine?
2-ethoxy-N-(thian-4-yl)pyridin-3-amine has a molecular weight of 238.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(thian-4-yl)pyridin-3-amine is sourced from PubChem (CID 43706527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).