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

C12H9ClN2S2 — CID 170643760

IUPAC5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESClc1cc(NCc2cccs2)c2sccc2n1
InChIInChI=1S/C12H9ClN2S2/c13-11-6-10(12-9(15-11)3-5-17-12)14-7-8-2-1-4-16-8/h1-6H,7H2,(H,14,15)
InChIKeyWPAHJSSGPCSRQC-UHFFFAOYSA-N
MW280.81 g/mol
LogP4.62
Rot. Bonds3

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

5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 170643760) has the molecular formula C12H9ClN2S2 and a molecular weight of 280.81 g/mol. Its IUPAC name is 5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
PubChem CID170643760
Molecular FormulaC12H9ClN2S2
Molecular Weight280.81 g/mol
Exact Mass279.99
IUPAC Name5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESClc1cc(NCc2cccs2)c2sccc2n1
InChIInChI=1S/C12H9ClN2S2/c13-11-6-10(12-9(15-11)3-5-17-12)14-7-8-2-1-4-16-8/h1-6H,7H2,(H,14,15)
InChIKeyWPAHJSSGPCSRQC-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643799
2-(aminomethyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066343
2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066266
2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162390915
methyl 6-chloro-3-methyl-4-(thiophen-2-ylmethylamino)pyridine-2-carboxylate
CID 90839890
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750421
5-chloro-2-cyclohexyl-3-cyclopropyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643758
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-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953905
2-[(2S)-2-aminobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 162390867
2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 43173657

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 170643760) is 5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is Clc1cc(NCc2cccs2)c2sccc2n1.
What is the InChIKey of 5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The InChIKey is WPAHJSSGPCSRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2S2/c13-11-6-10(12-9(15-11)3-5-17-12)14-7-8-2-1-4-16-8/h1-6H,7H2,(H,14,15).
What are the key properties of 5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 280.81 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 170643760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).