2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine

C16H18ClN3OS — CID 155066272

IUPAC2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
SMILESCc1c(C[C@H](C)N)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C16H18ClN3OS/c1-9(18)6-13-10(2)15-16(22-13)12(7-14(17)20-15)19-8-11-4-3-5-21-11/h3-5,7,9H,6,8,18H2,1-2H3,(H,19,20)/t9-/m0/s1
InChIKeySGHBPRDYAWJBMQ-VIFPVBQESA-N
MW335.86 g/mol
LogP4.35
Rot. Bonds5

About 2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine

2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine (PubChem CID 155066272) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
PubChem CID155066272
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
SMILESCc1c(C[C@H](C)N)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C16H18ClN3OS/c1-9(18)6-13-10(2)15-16(22-13)12(7-14(17)20-15)19-8-11-4-3-5-21-11/h3-5,7,9H,6,8,18H2,1-2H3,(H,19,20)/t9-/m0/s1
InChIKeySGHBPRDYAWJBMQ-VIFPVBQESA-N
XLogP4.35
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 ≤ 54.35
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-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine (CID 155066272) is 2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine is Cc1c(C[C@H](C)N)sc2c(NCc3ccco3)cc(Cl)nc12.
What is the InChIKey of 2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The InChIKey is SGHBPRDYAWJBMQ-VIFPVBQESA-N. The full InChI is InChI=1S/C16H18ClN3OS/c1-9(18)6-13-10(2)15-16(22-13)12(7-14(17)20-15)19-8-11-4-3-5-21-11/h3-5,7,9H,6,8,18H2,1-2H3,(H,19,20)/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
2-[(2S)-2-aminopropyl]-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 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 155066272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).