4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine

C13H18N4O2S2 — CID 114810398

IUPAC4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
SMILESCCCNS(=O)(=O)Nc1nc(-c2ccc(CN)cc2)cs1
InChIInChI=1S/C13H18N4O2S2/c1-2-7-15-21(18,19)17-13-16-12(9-20-13)11-5-3-10(8-14)4-6-11/h3-6,9,15H,2,7-8,14H2,1H3,(H,16,17)
InChIKeyPGQJNIBSANXQDE-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.93
Rot. Bonds7

About 4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine

4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine (PubChem CID 114810398) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
PubChem CID114810398
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
SMILESCCCNS(=O)(=O)Nc1nc(-c2ccc(CN)cc2)cs1
InChIInChI=1S/C13H18N4O2S2/c1-2-7-15-21(18,19)17-13-16-12(9-20-13)11-5-3-10(8-14)4-6-11/h3-6,9,15H,2,7-8,14H2,1H3,(H,16,17)
InChIKeyPGQJNIBSANXQDE-UHFFFAOYSA-N
XLogP1.93
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810403
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
CID 63689550
4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
CID 114810401
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 43602747
4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810414
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]prop-2-ene-1-sulfonamide
CID 79672605
4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
CID 114804525
4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
CID 59828904
4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 59828852
4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 5076163
[4-(4-butylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 93188542
N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343482

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine (CID 114810398) is 4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine is CCCNS(=O)(=O)Nc1nc(-c2ccc(CN)cc2)cs1.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine?
The InChIKey is PGQJNIBSANXQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-2-7-15-21(18,19)17-13-16-12(9-20-13)11-5-3-10(8-14)4-6-11/h3-6,9,15H,2,7-8,14H2,1H3,(H,16,17).
What are the key properties of 4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine?
4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine has a molecular weight of 326.45 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 114810398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).