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

C10H20ClN3O2S2 — CID 120900573

IUPAC5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C(C)S(C)(=O)=O)N(C)Cc1cnc(N)s1.Cl
InChIInChI=1S/C10H19N3O2S2.ClH/c1-7(8(2)17(4,14)15)13(3)6-9-5-12-10(11)16-9;/h5,7-8H,6H2,1-4H3,(H2,11,12);1H
InChIKeyUFSNWBFEFOLDBH-UHFFFAOYSA-N
MW313.88 g/mol
LogP1.40
Rot. Bonds5

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

5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120900573) has the molecular formula C10H20ClN3O2S2 and a molecular weight of 313.88 g/mol. Its IUPAC name is 5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120900573
Molecular FormulaC10H20ClN3O2S2
Molecular Weight313.88 g/mol
Exact Mass313.07
IUPAC Name5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C(C)S(C)(=O)=O)N(C)Cc1cnc(N)s1.Cl
InChIInChI=1S/C10H19N3O2S2.ClH/c1-7(8(2)17(4,14)15)13(3)6-9-5-12-10(11)16-9;/h5,7-8H,6H2,1-4H3,(H2,11,12);1H
InChIKeyUFSNWBFEFOLDBH-UHFFFAOYSA-N
XLogP1.40
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 120902202
5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901421
5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903532
5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900901
5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898662
5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120898349
5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120904904
5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120902697
5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898883
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479
5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120900910
5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771856

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120900573) is 5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CC(C(C)S(C)(=O)=O)N(C)Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is UFSNWBFEFOLDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2.ClH/c1-7(8(2)17(4,14)15)13(3)6-9-5-12-10(11)16-9;/h5,7-8H,6H2,1-4H3,(H2,11,12);1H.
What are the key properties of 5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 313.88 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120900573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).