5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C19H25N3OS — CID 45489068

IUPAC5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1ccccc1CN1CCc2nc(N3CCCCC3)sc2C1
InChIInChI=1S/C19H25N3OS/c1-23-17-8-4-3-7-15(17)13-21-12-9-16-18(14-21)24-19(20-16)22-10-5-2-6-11-22/h3-4,7-8H,2,5-6,9-14H2,1H3
InChIKeySNPAMIJGWGHGFM-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.70
Rot. Bonds4

About 5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 45489068) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID45489068
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1ccccc1CN1CCc2nc(N3CCCCC3)sc2C1
InChIInChI=1S/C19H25N3OS/c1-23-17-8-4-3-7-15(17)13-21-12-9-16-18(14-21)24-19(20-16)22-10-5-2-6-11-22/h3-4,7-8H,2,5-6,9-14H2,1H3
InChIKeySNPAMIJGWGHGFM-UHFFFAOYSA-N
XLogP3.70
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 45489068) is 5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is COc1ccccc1CN1CCc2nc(N3CCCCC3)sc2C1.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is SNPAMIJGWGHGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-23-17-8-4-3-7-15(17)13-21-12-9-16-18(14-21)24-19(20-16)22-10-5-2-6-11-22/h3-4,7-8H,2,5-6,9-14H2,1H3.
What are the key properties of 5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 343.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 45489068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).