5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

C24H34N2S — CID 174202569

IUPAC5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESC=C(C)c1ccc(CCC2CCCCN2Cc2sc(C)nc2C)cc1CC
InChIInChI=1S/C24H34N2S/c1-6-21-15-20(11-13-23(21)17(2)3)10-12-22-9-7-8-14-26(22)16-24-18(4)25-19(5)27-24/h11,13,15,22H,2,6-10,12,14,16H2,1,3-5H3
InChIKeyPYIIFZZZONHEJL-UHFFFAOYSA-N
MW382.62 g/mol
LogP6.34
Rot. Bonds7

About 5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 174202569) has the molecular formula C24H34N2S and a molecular weight of 382.62 g/mol. Its IUPAC name is 5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID174202569
Molecular FormulaC24H34N2S
Molecular Weight382.62 g/mol
Exact Mass382.24
IUPAC Name5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESC=C(C)c1ccc(CCC2CCCCN2Cc2sc(C)nc2C)cc1CC
InChIInChI=1S/C24H34N2S/c1-6-21-15-20(11-13-23(21)17(2)3)10-12-22-9-7-8-14-26(22)16-24-18(4)25-19(5)27-24/h11,13,15,22H,2,6-10,12,14,16H2,1,3-5H3
InChIKeyPYIIFZZZONHEJL-UHFFFAOYSA-N
XLogP6.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.62
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole with MolForge

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Related Compounds

3-[[2-[(3-ethyl-4-prop-1-en-2-ylphenoxy)methyl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 174197526
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 70757893
2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 106793710
4-(2-cyclopropylethyl)-1-ethyl-2-prop-1-en-2-ylbenzene
CID 143183881
2-(2-bromoethyl)-1-[(3,4-dimethylphenyl)methyl]piperidine
CID 80670822
[(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 110921363
2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82032323
4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol
CID 99956649
4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine
CID 70786625
2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
CID 95869234
3-methyl-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 114485591
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 106818951

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (CID 174202569) is 5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is C=C(C)c1ccc(CCC2CCCCN2Cc2sc(C)nc2C)cc1CC.
What is the InChIKey of 5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is PYIIFZZZONHEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2S/c1-6-21-15-20(11-13-23(21)17(2)3)10-12-22-9-7-8-14-26(22)16-24-18(4)25-19(5)27-24/h11,13,15,22H,2,6-10,12,14,16H2,1,3-5H3.
What are the key properties of 5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 382.62 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(3-ethyl-4-prop-1-en-2-ylphenyl)ethyl]piperidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 174202569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).