3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide

C19H23N3O2S — CID 121154537

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC(N3CCc4sccc4C3)C2)cc1
InChIInChI=1S/C19H23N3O2S/c1-24-17-4-2-14(3-5-17)10-20-19(23)22-12-16(13-22)21-8-6-18-15(11-21)7-9-25-18/h2-5,7,9,16H,6,8,10-13H2,1H3,(H,20,23)
InChIKeySDCURNQRHZMQLX-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.71
Rot. Bonds4

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide (PubChem CID 121154537) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
PubChem CID121154537
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC(N3CCc4sccc4C3)C2)cc1
InChIInChI=1S/C19H23N3O2S/c1-24-17-4-2-14(3-5-17)10-20-19(23)22-12-16(13-22)21-8-6-18-15(11-21)7-9-25-18/h2-5,7,9,16H,6,8,10-13H2,1H3,(H,20,23)
InChIKeySDCURNQRHZMQLX-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide (CID 121154537) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide is COc1ccc(CNC(=O)N2CC(N3CCc4sccc4C3)C2)cc1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide?
The InChIKey is SDCURNQRHZMQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-24-17-4-2-14(3-5-17)10-20-19(23)22-12-16(13-22)21-8-6-18-15(11-21)7-9-25-18/h2-5,7,9,16H,6,8,10-13H2,1H3,(H,20,23).
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 121154537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).