[3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine

C19H14N2O2S2 — CID 66671300

IUPAC[3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1nccc2scc(-c3ccc4c(c3)OCO4)c12
InChIInChI=1S/C19H14N2O2S2/c20-18(16-2-1-7-24-16)19-17-12(9-25-15(17)5-6-21-19)11-3-4-13-14(8-11)23-10-22-13/h1-9,18H,10,20H2
InChIKeyXQGBMNFGMQXXLZ-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.80
Rot. Bonds3

About [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine

[3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine (PubChem CID 66671300) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name[3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine
PubChem CID66671300
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC Name[3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1nccc2scc(-c3ccc4c(c3)OCO4)c12
InChIInChI=1S/C19H14N2O2S2/c20-18(16-2-1-7-24-16)19-17-12(9-25-15(17)5-6-21-19)11-3-4-13-14(8-11)23-10-22-13/h1-9,18H,10,20H2
InChIKeyXQGBMNFGMQXXLZ-UHFFFAOYSA-N
XLogP4.80
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-Thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline
CID 10083695
6-(3,4-Dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine
CID 90466337
7-(3-Thiophenyl)-[1,3]dioxolo[4,5-g]isoquinoline
CID 25058391
2-[2-[6-(2-Methoxyphenyl)thieno[2,3-f][1,3]benzodioxol-7-yl]ethynyl]pyridine
CID 44142482
4H-Pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine, 5,6-dihydro-6-(1,3-benzodioxol-5-yl)-3-methyl-
CID 3071489
4H-Pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine, 5,6-dihydro-6-(1,3-benzodioxol-5-yl)-
CID 3077907
N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 46955539
N-[(3,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 110222135
1-(1,3-benzodioxol-5-yl)-N-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 52381269
N-[(3,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine;hydrochloride
CID 118741822
(1,3-Benzodioxol-4-ylmethyl)[(3-methyl-2-thienyl)methyl](pyridin-2-ylmethyl)amine
CID 46986376
(E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)acrylamide
CID 49754022

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine?
The IUPAC name of [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine (CID 66671300) is [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine.
What is the SMILES notation for [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine?
The canonical SMILES for [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine is NC(c1cccs1)c1nccc2scc(-c3ccc4c(c3)OCO4)c12.
What is the InChIKey of [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine?
The InChIKey is XQGBMNFGMQXXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S2/c20-18(16-2-1-7-24-16)19-17-12(9-25-15(17)5-6-21-19)11-3-4-13-14(8-11)23-10-22-13/h1-9,18H,10,20H2.
What are the key properties of [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine?
[3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine has a molecular weight of 366.47 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine is sourced from PubChem (CID 66671300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).