5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C19H28ClN3O2S — CID 120902600

IUPAC5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1cc(CCC2CCN(Cc3cnc(N)s3)CC2)cc(OC)c1.Cl
InChIInChI=1S/C19H27N3O2S.ClH/c1-23-16-9-15(10-17(11-16)24-2)4-3-14-5-7-22(8-6-14)13-18-12-21-19(20)25-18;/h9-12,14H,3-8,13H2,1-2H3,(H2,20,21);1H
InChIKeyGUZGOMKFTDFFMR-UHFFFAOYSA-N
MW397.97 g/mol
LogP4.01
Rot. Bonds7

About 5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120902600) has the molecular formula C19H28ClN3O2S and a molecular weight of 397.97 g/mol. Its IUPAC name is 5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120902600
Molecular FormulaC19H28ClN3O2S
Molecular Weight397.97 g/mol
Exact Mass397.16
IUPAC Name5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1cc(CCC2CCN(Cc3cnc(N)s3)CC2)cc(OC)c1.Cl
InChIInChI=1S/C19H27N3O2S.ClH/c1-23-16-9-15(10-17(11-16)24-2)4-3-14-5-7-22(8-6-14)13-18-12-21-19(20)25-18;/h9-12,14H,3-8,13H2,1-2H3,(H2,20,21);1H
InChIKeyGUZGOMKFTDFFMR-UHFFFAOYSA-N
XLogP4.01
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.97
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;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

5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772441
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 86921160
5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901310
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine
CID 120902755
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572
5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898672
5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902392
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900208
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120902600) is 5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is COc1cc(CCC2CCN(Cc3cnc(N)s3)CC2)cc(OC)c1.Cl.
What is the InChIKey of 5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is GUZGOMKFTDFFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S.ClH/c1-23-16-9-15(10-17(11-16)24-2)4-3-14-5-7-22(8-6-14)13-18-12-21-19(20)25-18;/h9-12,14H,3-8,13H2,1-2H3,(H2,20,21);1H.
What are the key properties of 5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 397.97 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120902600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).