2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

C14H13Cl2N3S2 — CID 155066266

IUPAC2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESNCCc1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl
InChIInChI=1S/C14H13Cl2N3S2/c15-11-6-9(18-7-8-2-1-5-20-8)14-13(19-11)12(16)10(21-14)3-4-17/h1-2,5-6H,3-4,7,17H2,(H,18,19)
InChIKeyOFSVWXOUNAUOKJ-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.78
Rot. Bonds5

About 2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 155066266) has the molecular formula C14H13Cl2N3S2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
PubChem CID155066266
Molecular FormulaC14H13Cl2N3S2
Molecular Weight358.32 g/mol
Exact Mass356.99
IUPAC Name2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESNCCc1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl
InChIInChI=1S/C14H13Cl2N3S2/c15-11-6-9(18-7-8-2-1-5-20-8)14-13(19-11)12(16)10(21-14)3-4-17/h1-2,5-6H,3-4,7,17H2,(H,18,19)
InChIKeyOFSVWXOUNAUOKJ-UHFFFAOYSA-N
XLogP4.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644885
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-[(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-(2-aminoethyl)-5-(aziridin-2-yl)-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170792205
(1R,2R,3S)-2-amino-3-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]cyclohexan-1-ol
CID 170644733
5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643760
2-(2-aminoethyl)-3-bromo-7-(thiophen-2-ylmethylamino)-4H-thieno[3,2-b]pyridin-5-one
CID 154681321
(1R,5S,6R)-6-amino-5-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]cyclohex-2-en-1-ol
CID 170644390
5-chloro-2-cyclohexyl-3-cyclopropyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643758

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 155066266) is 2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is NCCc1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.
What is the InChIKey of 2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The InChIKey is OFSVWXOUNAUOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3S2/c15-11-6-9(18-7-8-2-1-5-20-8)14-13(19-11)12(16)10(21-14)3-4-17/h1-2,5-6H,3-4,7,17H2,(H,18,19).
What are the key properties of 2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 358.32 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 155066266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).