methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate

C18H17NO3S2 — CID 18151848

IUPACmethyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCc2sccc2C1c1cccs1
InChIInChI=1S/C18H17NO3S2/c1-21-18(20)12-5-8-22-14(12)11-19-7-4-15-13(6-10-24-15)17(19)16-3-2-9-23-16/h2-3,5-6,8-10,17H,4,7,11H2,1H3
InChIKeyHUMGBVXSPBMMHM-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.34
Rot. Bonds4

About methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate

methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate (PubChem CID 18151848) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate
PubChem CID18151848
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC Namemethyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCc2sccc2C1c1cccs1
InChIInChI=1S/C18H17NO3S2/c1-21-18(20)12-5-8-22-14(12)11-19-7-4-15-13(6-10-24-15)17(19)16-3-2-9-23-16/h2-3,5-6,8-10,17H,4,7,11H2,1H3
InChIKeyHUMGBVXSPBMMHM-UHFFFAOYSA-N
XLogP4.34
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate (CID 18151848) is methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN1CCc2sccc2C1c1cccs1.
What is the InChIKey of methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate?
The InChIKey is HUMGBVXSPBMMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-21-18(20)12-5-8-22-14(12)11-19-7-4-15-13(6-10-24-15)17(19)16-3-2-9-23-16/h2-3,5-6,8-10,17H,4,7,11H2,1H3.
What are the key properties of methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate?
methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate is sourced from PubChem (CID 18151848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).