2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile

C17H15N5S2 — CID 155059877

IUPAC2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile
SMILESCC(N)Cc1sc2c(NCc3cccs3)cc(C#N)nc2c1C#N
InChIInChI=1S/C17H15N5S2/c1-10(20)5-15-13(8-19)16-17(24-15)14(6-11(7-18)22-16)21-9-12-3-2-4-23-12/h2-4,6,10H,5,9,20H2,1H3,(H,21,22)
InChIKeyNIYURTSEDNIAGL-UHFFFAOYSA-N
MW353.48 g/mol
LogP3.60
Rot. Bonds5

About 2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile

2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile (PubChem CID 155059877) has the molecular formula C17H15N5S2 and a molecular weight of 353.48 g/mol. Its IUPAC name is 2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile
PubChem CID155059877
Molecular FormulaC17H15N5S2
Molecular Weight353.48 g/mol
Exact Mass353.08
IUPAC Name2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile
SMILESCC(N)Cc1sc2c(NCc3cccs3)cc(C#N)nc2c1C#N
InChIInChI=1S/C17H15N5S2/c1-10(20)5-15-13(8-19)16-17(24-15)14(6-11(7-18)22-16)21-9-12-3-2-4-23-12/h2-4,6,10H,5,9,20H2,1H3,(H,21,22)
InChIKeyNIYURTSEDNIAGL-UHFFFAOYSA-N
XLogP3.60
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile
CID 162390817
6-[(2S)-2-aminopropyl]-4-(thiophen-2-ylmethylamino)thieno[3,2-d]pyrimidine-2,7-dicarbonitrile;tert-butyl N-[2,7-dicyano-6-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-d]pyrimidin-4-yl]-N-(thiophen-2-ylmethyl)carbamate
CID 175805516
2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 162390977
2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162390915
2-[(2S)-2-aminobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 162390867
2-(aminomethyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066343
2-ethyl-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-3,7-diamine
CID 154681334
2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066266
2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162391081
2-methylsulfanyl-6-(thiophen-2-ylmethylamino)benzonitrile
CID 113385489
(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;dihydrochloride
CID 162391090
3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 154681150

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile (CID 155059877) is 2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile is CC(N)Cc1sc2c(NCc3cccs3)cc(C#N)nc2c1C#N.
What is the InChIKey of 2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile?
The InChIKey is NIYURTSEDNIAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S2/c1-10(20)5-15-13(8-19)16-17(24-15)14(6-11(7-18)22-16)21-9-12-3-2-4-23-12/h2-4,6,10H,5,9,20H2,1H3,(H,21,22).
What are the key properties of 2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile?
2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile has a molecular weight of 353.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 155059877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).