5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine

C17H20ClN3OS — CID 155066298

IUPAC5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine
SMILESCN[C@@H](C)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C
InChIInChI=1S/C17H20ClN3OS/c1-10(19-3)7-14-11(2)16-17(23-14)13(8-15(18)21-16)20-9-12-5-4-6-22-12/h4-6,8,10,19H,7,9H2,1-3H3,(H,20,21)/t10-/m0/s1
InChIKeyUGSPTWQJQWZEQF-JTQLQIEISA-N
MW349.89 g/mol
LogP4.61
Rot. Bonds6

About 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine

5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 155066298) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine
PubChem CID155066298
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine
SMILESCN[C@@H](C)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C
InChIInChI=1S/C17H20ClN3OS/c1-10(19-3)7-14-11(2)16-17(23-14)13(8-15(18)21-16)20-9-12-5-4-6-22-12/h4-6,8,10,19H,7,9H2,1-3H3,(H,20,21)/t10-/m0/s1
InChIKeyUGSPTWQJQWZEQF-JTQLQIEISA-N
XLogP4.61
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 54.61
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine (CID 155066298) is 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine is CN[C@@H](C)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C.
What is the InChIKey of 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is UGSPTWQJQWZEQF-JTQLQIEISA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-10(19-3)7-14-11(2)16-17(23-14)13(8-15(18)21-16)20-9-12-5-4-6-22-12/h4-6,8,10,19H,7,9H2,1-3H3,(H,20,21)/t10-/m0/s1.
What are the key properties of 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine?
5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 349.89 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 155066298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).