1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride

C17H24ClN3O2S — CID 120909032

IUPAC1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCOc1ccc(OCc2nc(CN3CC(C)C(N)C3)cs2)cc1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-12-7-20(9-16(12)18)8-13-11-23-17(19-13)10-22-15-5-3-14(21-2)4-6-15;/h3-6,11-12,16H,7-10,18H2,1-2H3;1H
InChIKeyXZHVMXNVAWOYSJ-UHFFFAOYSA-N
MW369.92 g/mol
LogP2.93
Rot. Bonds6

About 1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride

1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120909032) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120909032
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCOc1ccc(OCc2nc(CN3CC(C)C(N)C3)cs2)cc1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-12-7-20(9-16(12)18)8-13-11-23-17(19-13)10-22-15-5-3-14(21-2)4-6-15;/h3-6,11-12,16H,7-10,18H2,1-2H3;1H
InChIKeyXZHVMXNVAWOYSJ-UHFFFAOYSA-N
XLogP2.93
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780484
1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine
CID 75511141
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909373
N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 79183672
3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 120781546
4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 120909570
2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 146128587
4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 112798687
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908908
2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 82020434
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole
CID 167902967

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120909032) is 1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride is COc1ccc(OCc2nc(CN3CC(C)C(N)C3)cs2)cc1.Cl.
What is the InChIKey of 1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is XZHVMXNVAWOYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.ClH/c1-12-7-20(9-16(12)18)8-13-11-23-17(19-13)10-22-15-5-3-14(21-2)4-6-15;/h3-6,11-12,16H,7-10,18H2,1-2H3;1H.
What are the key properties of 1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).