2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

C20H27N3S2 — CID 154681174

IUPAC2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESCCCC(CN)c1sc2c(NCc3cccs3)cc(C)nc2c1CC
InChIInChI=1S/C20H27N3S2/c1-4-7-14(11-21)19-16(5-2)18-20(25-19)17(10-13(3)23-18)22-12-15-8-6-9-24-15/h6,8-10,14H,4-5,7,11-12,21H2,1-3H3,(H,22,23)
InChIKeyZSSMXMWKTGVVSS-UHFFFAOYSA-N
MW373.59 g/mol
LogP5.68
Rot. Bonds8

About 2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 154681174) has the molecular formula C20H27N3S2 and a molecular weight of 373.59 g/mol. Its IUPAC name is 2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
PubChem CID154681174
Molecular FormulaC20H27N3S2
Molecular Weight373.59 g/mol
Exact Mass373.16
IUPAC Name2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESCCCC(CN)c1sc2c(NCc3cccs3)cc(C)nc2c1CC
InChIInChI=1S/C20H27N3S2/c1-4-7-14(11-21)19-16(5-2)18-20(25-19)17(10-13(3)23-18)22-12-15-8-6-9-24-15/h6,8-10,14H,4-5,7,11-12,21H2,1-3H3,(H,22,23)
InChIKeyZSSMXMWKTGVVSS-UHFFFAOYSA-N
XLogP5.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.59
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine with MolForge

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Related Compounds

2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162390915
3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 154681150
2-(aminomethyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066343
2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 162390977
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-(2-aminoethyl)-5-(aziridin-2-yl)-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170792205
2-(2-aminopropyl)-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile
CID 155059877
2-[(2S)-2-aminobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 162390867
acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine
CID 170792248
(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
(2S)-2-thiophen-2-ylpentan-1-amine
CID 54559295

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 154681174) is 2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is CCCC(CN)c1sc2c(NCc3cccs3)cc(C)nc2c1CC.
What is the InChIKey of 2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The InChIKey is ZSSMXMWKTGVVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3S2/c1-4-7-14(11-21)19-16(5-2)18-20(25-19)17(10-13(3)23-18)22-12-15-8-6-9-24-15/h6,8-10,14H,4-5,7,11-12,21H2,1-3H3,(H,22,23).
What are the key properties of 2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 373.59 g/mol, XLogP of 5.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 154681174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).