N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride

C16H24Cl2N4O3S2 — CID 119465520

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCC(C)(C)c1ncsc1C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl.Cl
InChIInChI=1S/C16H22N4O3S2.2ClH/c1-16(2,3)14-13(24-10-18-14)15(21)20-11-5-4-6-12(9-11)25(22,23)19-8-7-17;;/h4-6,9-10,19H,7-8,17H2,1-3H3,(H,20,21);2*1H
InChIKeyXJYHHSSFZZSKFT-UHFFFAOYSA-N
MW455.43 g/mol
LogP2.77
Rot. Bonds6

About N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride

N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119465520) has the molecular formula C16H24Cl2N4O3S2 and a molecular weight of 455.43 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119465520
Molecular FormulaC16H24Cl2N4O3S2
Molecular Weight455.43 g/mol
Exact Mass454.07
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCC(C)(C)c1ncsc1C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl.Cl
InChIInChI=1S/C16H22N4O3S2.2ClH/c1-16(2,3)14-13(24-10-18-14)15(21)20-11-5-4-6-12(9-11)25(22,23)19-8-7-17;;/h4-6,9-10,19H,7-8,17H2,1-3H3,(H,20,21);2*1H
InChIKeyXJYHHSSFZZSKFT-UHFFFAOYSA-N
XLogP2.77
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119465589
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 119465959
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride
CID 119465694
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride
CID 119465892
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide
CID 119465603
N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide
CID 70646120
N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119466003
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55704580
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119465520) is N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride is CC(C)(C)c1ncsc1C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl.Cl.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is XJYHHSSFZZSKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2.2ClH/c1-16(2,3)14-13(24-10-18-14)15(21)20-11-5-4-6-12(9-11)25(22,23)19-8-7-17;;/h4-6,9-10,19H,7-8,17H2,1-3H3,(H,20,21);2*1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 455.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119465520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).