5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C13H18ClN3O2S2 — CID 120900901

IUPAC5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C13H17N3O2S2.ClH/c1-16(9-11-7-15-13(14)19-11)8-10-3-5-12(6-4-10)20(2,17)18;/h3-7H,8-9H2,1-2H3,(H2,14,15);1H
InChIKeyVSZHEDUXPJUWJM-UHFFFAOYSA-N
MW347.89 g/mol
LogP2.18
Rot. Bonds5

About 5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120900901) has the molecular formula C13H18ClN3O2S2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120900901
Molecular FormulaC13H18ClN3O2S2
Molecular Weight347.89 g/mol
Exact Mass347.05
IUPAC Name5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C13H17N3O2S2.ClH/c1-16(9-11-7-15-13(14)19-11)8-10-3-5-12(6-4-10)20(2,17)18;/h3-7H,8-9H2,1-2H3,(H2,14,15);1H
InChIKeyVSZHEDUXPJUWJM-UHFFFAOYSA-N
XLogP2.18
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]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-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897486
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898326
5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903914
5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 79772147
5-[[(4-nitrophenyl)methyl-propan-2-ylamino]methyl]-1,3-thiazol-2-amine
CID 120899158
N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 120902202
5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900861
5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900573
5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771856
N-(chloromethyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 115263223
5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901421

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120900901) is 5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is VSZHEDUXPJUWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2.ClH/c1-16(9-11-7-15-13(14)19-11)8-10-3-5-12(6-4-10)20(2,17)18;/h3-7H,8-9H2,1-2H3,(H2,14,15);1H.
What are the key properties of 5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120900901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).