4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole

C18H24N2O2S — CID 29256300

IUPAC4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(OC2CCN(CCc3csc(C)n3)CC2)cc1
InChIInChI=1S/C18H24N2O2S/c1-14-19-15(13-23-14)7-10-20-11-8-18(9-12-20)22-17-5-3-16(21-2)4-6-17/h3-6,13,18H,7-12H2,1-2H3
InChIKeyVLZGZTCJCOYTFQ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.55
Rot. Bonds6

About 4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole

4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole (PubChem CID 29256300) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
PubChem CID29256300
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(OC2CCN(CCc3csc(C)n3)CC2)cc1
InChIInChI=1S/C18H24N2O2S/c1-14-19-15(13-23-14)7-10-20-11-8-18(9-12-20)22-17-5-3-16(21-2)4-6-17/h3-6,13,18H,7-12H2,1-2H3
InChIKeyVLZGZTCJCOYTFQ-UHFFFAOYSA-N
XLogP3.55
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106033345
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119069111
N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 106042299
4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 125187099
5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 171914795
3-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 91842742
4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043577
1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 71931491
[4-(cyclohexanecarbonylamino)phenyl] 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxylate
CID 57455994
1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 96529429

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole (CID 29256300) is 4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole is COc1ccc(OC2CCN(CCc3csc(C)n3)CC2)cc1.
What is the InChIKey of 4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The InChIKey is VLZGZTCJCOYTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-14-19-15(13-23-14)7-10-20-11-8-18(9-12-20)22-17-5-3-16(21-2)4-6-17/h3-6,13,18H,7-12H2,1-2H3.
What are the key properties of 4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole?
4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole has a molecular weight of 332.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 29256300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).