2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole

C16H21N3OS — CID 133464861

IUPAC2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOc1cccc(CC2CCN(c3nnc(C)s3)CC2)c1
InChIInChI=1S/C16H21N3OS/c1-12-17-18-16(21-12)19-8-6-13(7-9-19)10-14-4-3-5-15(11-14)20-2/h3-5,11,13H,6-10H2,1-2H3
InChIKeyQWBODXYNEBTUFP-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.31
Rot. Bonds4

About 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole

2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 133464861) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID133464861
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOc1cccc(CC2CCN(c3nnc(C)s3)CC2)c1
InChIInChI=1S/C16H21N3OS/c1-12-17-18-16(21-12)19-8-6-13(7-9-19)10-14-4-3-5-15(11-14)20-2/h3-5,11,13H,6-10H2,1-2H3
InChIKeyQWBODXYNEBTUFP-UHFFFAOYSA-N
XLogP3.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133464962
5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133464880
4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
CID 133464903
(2R,4R)-4-[(3-methoxyphenyl)methyl]-1-methylpiperidine-2-carbonitrile
CID 14084732
3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide
CID 136530088
1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 131897606
1-tert-butyl-4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133464925
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133464882
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 133464979
1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224093
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 133464861) is 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole is COc1cccc(CC2CCN(c3nnc(C)s3)CC2)c1.
What is the InChIKey of 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is QWBODXYNEBTUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-17-18-16(21-12)19-8-6-13(7-9-19)10-14-4-3-5-15(11-14)20-2/h3-5,11,13H,6-10H2,1-2H3.
What are the key properties of 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 303.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 133464861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).