N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine

C11H14N2O2S — CID 107390126

IUPACN-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine
SMILESCOC(CNc1nccc2sccc12)OC
InChIInChI=1S/C11H14N2O2S/c1-14-10(15-2)7-13-11-8-4-6-16-9(8)3-5-12-11/h3-6,10H,7H2,1-2H3,(H,12,13)
InChIKeyHPQPFEZZNANLND-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.33
Rot. Bonds5

About N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine

N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 107390126) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine
PubChem CID107390126
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine
SMILESCOC(CNc1nccc2sccc12)OC
InChIInChI=1S/C11H14N2O2S/c1-14-10(15-2)7-13-11-8-4-6-16-9(8)3-5-12-11/h3-6,10H,7H2,1-2H3,(H,12,13)
InChIKeyHPQPFEZZNANLND-UHFFFAOYSA-N
XLogP2.33
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid
CID 106108525
N-(2,3,3-trimethylbutyl)thieno[3,2-c]pyridin-4-amine
CID 83143600
N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine
CID 65027465
N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 83029559
N-(2-methyl-3-pyrrolidin-1-ylpropyl)thieno[3,2-c]pyridin-4-amine
CID 62992310
N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731
N-[(1-methoxycyclobutyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 103989642
N-methyl-2-(thieno[3,2-c]pyridin-4-ylamino)acetamide
CID 43522799
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine
CID 115628494
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 103794661
N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine
CID 115637285

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine (CID 107390126) is N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine is COC(CNc1nccc2sccc12)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is HPQPFEZZNANLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-14-10(15-2)7-13-11-8-4-6-16-9(8)3-5-12-11/h3-6,10H,7H2,1-2H3,(H,12,13).
What are the key properties of N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine?
N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 238.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 107390126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).