[3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride

C18H26ClN3OS — CID 120780374

IUPAC[3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1nc(COc2ccc(CN3CCC(C)(CN)C3)cc2)cs1.Cl
InChIInChI=1S/C18H25N3OS.ClH/c1-14-20-16(11-23-14)10-22-17-5-3-15(4-6-17)9-21-8-7-18(2,12-19)13-21;/h3-6,11H,7-10,12-13,19H2,1-2H3;1H
InChIKeyDEGVZDOPAAJJOZ-UHFFFAOYSA-N
MW367.95 g/mol
LogP3.62
Rot. Bonds6

About [3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride

[3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120780374) has the molecular formula C18H26ClN3OS and a molecular weight of 367.95 g/mol. Its IUPAC name is [3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120780374
Molecular FormulaC18H26ClN3OS
Molecular Weight367.95 g/mol
Exact Mass367.15
IUPAC Name[3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1nc(COc2ccc(CN3CCC(C)(CN)C3)cc2)cs1.Cl
InChIInChI=1S/C18H25N3OS.ClH/c1-14-20-16(11-23-14)10-22-17-5-3-15(4-6-17)9-21-8-7-18(2,12-19)13-21;/h3-6,11H,7-10,12-13,19H2,1-2H3;1H
InChIKeyDEGVZDOPAAJJOZ-UHFFFAOYSA-N
XLogP3.62
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.95
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120773051
4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole
CID 120907731
[1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780484
[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772784
ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate
CID 120780403
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120771298
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(4-tert-butylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771872
[3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120780919
[1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780551
[1-[[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120771371

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 120780374) is [3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride is Cc1nc(COc2ccc(CN3CCC(C)(CN)C3)cc2)cs1.Cl.
What is the InChIKey of [3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is DEGVZDOPAAJJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS.ClH/c1-14-20-16(11-23-14)10-22-17-5-3-15(4-6-17)9-21-8-7-18(2,12-19)13-21;/h3-6,11H,7-10,12-13,19H2,1-2H3;1H.
What are the key properties of [3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 367.95 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120780374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).