2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine

C16H18ClN3OS — CID 155059955

IUPAC2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
SMILESCc1c(C(C)CN)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C16H18ClN3OS/c1-9(7-18)15-10(2)14-16(22-15)12(6-13(17)20-14)19-8-11-4-3-5-21-11/h3-6,9H,7-8,18H2,1-2H3,(H,19,20)
InChIKeyCETTYPNSLSVIDF-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.53
Rot. Bonds5

About 2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine

2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine (PubChem CID 155059955) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
PubChem CID155059955
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
SMILESCc1c(C(C)CN)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C16H18ClN3OS/c1-9(7-18)15-10(2)14-16(22-15)12(6-13(17)20-14)19-8-11-4-3-5-21-11/h3-6,9H,7-8,18H2,1-2H3,(H,19,20)
InChIKeyCETTYPNSLSVIDF-UHFFFAOYSA-N
XLogP4.53
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.53
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 2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine (CID 155059955) is 2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine is Cc1c(C(C)CN)sc2c(NCc3ccco3)cc(Cl)nc12.
What is the InChIKey of 2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The InChIKey is CETTYPNSLSVIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c1-9(7-18)15-10(2)14-16(22-15)12(6-13(17)20-14)19-8-11-4-3-5-21-11/h3-6,9H,7-8,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine has a molecular weight of 335.86 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 155059955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).