2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one

C14H14BrN3OS2 — CID 154681321

IUPAC2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one
SMILESNCCc1sc2c(NCc3cccs3)cc(=O)[nH]c2c1Br
InChIInChI=1S/C14H14BrN3OS2/c15-12-10(3-4-16)21-14-9(6-11(19)18-13(12)14)17-7-8-2-1-5-20-8/h1-2,5-6H,3-4,7,16H2,(H2,17,18,19)
InChIKeyHXMZRPFGRRGOFF-UHFFFAOYSA-N
MW384.32 g/mol
LogP3.53
Rot. Bonds5

About 2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one

2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 154681321) has the molecular formula C14H14BrN3OS2 and a molecular weight of 384.32 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one
PubChem CID154681321
Molecular FormulaC14H14BrN3OS2
Molecular Weight384.32 g/mol
Exact Mass382.98
IUPAC Name2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one
SMILESNCCc1sc2c(NCc3cccs3)cc(=O)[nH]c2c1Br
InChIInChI=1S/C14H14BrN3OS2/c15-12-10(3-4-16)21-14-9(6-11(19)18-13(12)14)17-7-8-2-1-5-20-8/h1-2,5-6H,3-4,7,16H2,(H2,17,18,19)
InChIKeyHXMZRPFGRRGOFF-UHFFFAOYSA-N
XLogP3.53
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one with MolForge

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Related Compounds

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-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162391081
2-(aminomethyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066343
2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 43173657
2-[(2S)-2-aminobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 162390867
5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 102852659
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
(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
2-(2-aminocycloheptyl)-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644658
2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107633039
2-[(4R,5R)-5-aminoazepan-4-yl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644087

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one (CID 154681321) is 2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one is NCCc1sc2c(NCc3cccs3)cc(=O)[nH]c2c1Br.
What is the InChIKey of 2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is HXMZRPFGRRGOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3OS2/c15-12-10(3-4-16)21-14-9(6-11(19)18-13(12)14)17-7-8-2-1-5-20-8/h1-2,5-6H,3-4,7,16H2,(H2,17,18,19).
What are the key properties of 2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one?
2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 384.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 154681321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).