1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine

C18H24ClN3OS — CID 75511141

IUPAC1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CCC1N
InChIInChI=1S/C18H24ClN3OS/c1-2-13-9-22(8-7-17(13)20)10-15-12-24-18(21-15)11-23-16-5-3-14(19)4-6-16/h3-6,12-13,17H,2,7-11,20H2,1H3
InChIKeyVGCWVKRFARFXNT-UHFFFAOYSA-N
MW365.93 g/mol
LogP3.93
Rot. Bonds6

About 1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine

1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine (PubChem CID 75511141) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is 1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine
PubChem CID75511141
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC Name1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CCC1N
InChIInChI=1S/C18H24ClN3OS/c1-2-13-9-22(8-7-17(13)20)10-15-12-24-18(21-15)11-23-16-5-3-14(19)4-6-16/h3-6,12-13,17H,2,7-11,20H2,1H3
InChIKeyVGCWVKRFARFXNT-UHFFFAOYSA-N
XLogP3.93
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909032
3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 120781546
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918170
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-cyclopropylpropanamide
CID 46008391
(3S)-1-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 119174265
2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 146128587
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 167935793
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119546694
1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904916
3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81456953
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119542144
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119546693

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine?
The IUPAC name of 1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine (CID 75511141) is 1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine is CCC1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CCC1N.
What is the InChIKey of 1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine?
The InChIKey is VGCWVKRFARFXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3OS/c1-2-13-9-22(8-7-17(13)20)10-15-12-24-18(21-15)11-23-16-5-3-14(19)4-6-16/h3-6,12-13,17H,2,7-11,20H2,1H3.
What are the key properties of 1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine?
1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine has a molecular weight of 365.93 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine is sourced from PubChem (CID 75511141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).