5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine

C16H17ClN2OS — CID 155060025

IUPAC5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine
SMILESCc1c(C(C)C)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C16H17ClN2OS/c1-9(2)15-10(3)14-16(21-15)12(7-13(17)19-14)18-8-11-5-4-6-20-11/h4-7,9H,8H2,1-3H3,(H,18,19)
InChIKeyPQLNCVVHEPASFI-UHFFFAOYSA-N
MW320.85 g/mol
LogP5.59
Rot. Bonds4

About 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine

5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine (PubChem CID 155060025) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine
PubChem CID155060025
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine
SMILESCc1c(C(C)C)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C16H17ClN2OS/c1-9(2)15-10(3)14-16(21-15)12(7-13(17)19-14)18-8-11-5-4-6-20-11/h4-7,9H,8H2,1-3H3,(H,18,19)
InChIKeyPQLNCVVHEPASFI-UHFFFAOYSA-N
XLogP5.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.85
LogP ≤ 55.59
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine?
The IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine (CID 155060025) is 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine is Cc1c(C(C)C)sc2c(NCc3ccco3)cc(Cl)nc12.
What is the InChIKey of 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine?
The InChIKey is PQLNCVVHEPASFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-9(2)15-10(3)14-16(21-15)12(7-13(17)19-14)18-8-11-5-4-6-20-11/h4-7,9H,8H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine?
5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine has a molecular weight of 320.85 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-propan-2-ylthieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 155060025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).