N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride

C15H22ClN3O2S2 — CID 120895309

IUPACN-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride
SMILESCc1nc(S(=O)(=O)N(CCN)CCc2ccccc2)sc1C.Cl
InChIInChI=1S/C15H21N3O2S2.ClH/c1-12-13(2)21-15(17-12)22(19,20)18(11-9-16)10-8-14-6-4-3-5-7-14;/h3-7H,8-11,16H2,1-2H3;1H
InChIKeySDBCEDWHYLEYNL-UHFFFAOYSA-N
MW375.95 g/mol
LogP2.37
Rot. Bonds7

About N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride

N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride (PubChem CID 120895309) has the molecular formula C15H22ClN3O2S2 and a molecular weight of 375.95 g/mol. Its IUPAC name is N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride
PubChem CID120895309
Molecular FormulaC15H22ClN3O2S2
Molecular Weight375.95 g/mol
Exact Mass375.08
IUPAC NameN-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride
SMILESCc1nc(S(=O)(=O)N(CCN)CCc2ccccc2)sc1C.Cl
InChIInChI=1S/C15H21N3O2S2.ClH/c1-12-13(2)21-15(17-12)22(19,20)18(11-9-16)10-8-14-6-4-3-5-7-14;/h3-7H,8-11,16H2,1-2H3;1H
InChIKeySDBCEDWHYLEYNL-UHFFFAOYSA-N
XLogP2.37
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.95
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 120895810
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride
CID 120895932
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
CID 120895933
N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895906
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895249
N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120895643
N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 120895354

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride (CID 120895309) is N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride is Cc1nc(S(=O)(=O)N(CCN)CCc2ccccc2)sc1C.Cl.
What is the InChIKey of N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride?
The InChIKey is SDBCEDWHYLEYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2.ClH/c1-12-13(2)21-15(17-12)22(19,20)18(11-9-16)10-8-14-6-4-3-5-7-14;/h3-7H,8-11,16H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride?
N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride has a molecular weight of 375.95 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120895309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).