4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole

C18H24N2S — CID 169260080

IUPAC4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole
SMILESCc1nc(CCCc2ccccc2)sc1N1CCCCC1
InChIInChI=1S/C18H24N2S/c1-15-18(20-13-6-3-7-14-20)21-17(19-15)12-8-11-16-9-4-2-5-10-16/h2,4-5,9-10H,3,6-8,11-14H2,1H3
InChIKeyDXCVPQDJVVKPKK-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.62
Rot. Bonds5

About 4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole

4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole (PubChem CID 169260080) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole
PubChem CID169260080
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole
SMILESCc1nc(CCCc2ccccc2)sc1N1CCCCC1
InChIInChI=1S/C18H24N2S/c1-15-18(20-13-6-3-7-14-20)21-17(19-15)12-8-11-16-9-4-2-5-10-16/h2,4-5,9-10H,3,6-8,11-14H2,1H3
InChIKeyDXCVPQDJVVKPKK-UHFFFAOYSA-N
XLogP4.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Phenyl-1,3-thiazol-2-yl)methyl]piperidine
CID 236968
4-Methyl-5-phenyl-2-(3-(piperidin-1-yl)propoxy)thiazole
CID 52943847
5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712584
5-butyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712729
5-(3-methylbutyl)-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712730
5-(2-methylpropyl)-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712731
5-ethyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712727
4-[(4-Ethylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole
CID 6456181
2-(3-Phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole
CID 169259953
4-Methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole
CID 169259988
2-[3-(4-Iodophenyl)propyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole
CID 169260007
(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carbonitrile
CID 169260039

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole (CID 169260080) is 4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole is Cc1nc(CCCc2ccccc2)sc1N1CCCCC1.
What is the InChIKey of 4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole?
The InChIKey is DXCVPQDJVVKPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-15-18(20-13-6-3-7-14-20)21-17(19-15)12-8-11-16-9-4-2-5-10-16/h2,4-5,9-10H,3,6-8,11-14H2,1H3.
What are the key properties of 4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole?
4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole has a molecular weight of 300.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-phenylpropyl)-5-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 169260080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).