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

C19H25N3OS — CID 45489186

IUPAC5-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1cccc(CN2CCc3nc(N4CCCCC4)sc3C2)c1
InChIInChI=1S/C19H25N3OS/c1-23-16-7-5-6-15(12-16)13-21-11-8-17-18(14-21)24-19(20-17)22-9-3-2-4-10-22/h5-7,12H,2-4,8-11,13-14H2,1H3
InChIKeyMKGOETRYNDEUQU-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.70
Rot. Bonds4

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

5-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 45489186) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID45489186
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name5-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1cccc(CN2CCc3nc(N4CCCCC4)sc3C2)c1
InChIInChI=1S/C19H25N3OS/c1-23-16-7-5-6-15(12-16)13-21-11-8-17-18(14-21)24-19(20-17)22-9-3-2-4-10-22/h5-7,12H,2-4,8-11,13-14H2,1H3
InChIKeyMKGOETRYNDEUQU-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-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 45489186) is 5-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is COc1cccc(CN2CCc3nc(N4CCCCC4)sc3C2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is MKGOETRYNDEUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-23-16-7-5-6-15(12-16)13-21-11-8-17-18(14-21)24-19(20-17)22-9-3-2-4-10-22/h5-7,12H,2-4,8-11,13-14H2,1H3.
What are the key properties of 5-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-[(3-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-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 45489186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).