4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine

C12H14N4O2S2 — CID 114804526

IUPAC4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
SMILESNc1ccc(-c2csc(NS(=O)(=O)NC3CC3)n2)cc1
InChIInChI=1S/C12H14N4O2S2/c13-9-3-1-8(2-4-9)11-7-19-12(14-11)16-20(17,18)15-10-5-6-10/h1-4,7,10,15H,5-6,13H2,(H,14,16)
InChIKeyWPDDVBNVQGYPAF-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.80
Rot. Bonds5

About 4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine

4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine (PubChem CID 114804526) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
PubChem CID114804526
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
SMILESNc1ccc(-c2csc(NS(=O)(=O)NC3CC3)n2)cc1
InChIInChI=1S/C12H14N4O2S2/c13-9-3-1-8(2-4-9)11-7-19-12(14-11)16-20(17,18)15-10-5-6-10/h1-4,7,10,15H,5-6,13H2,(H,14,16)
InChIKeyWPDDVBNVQGYPAF-UHFFFAOYSA-N
XLogP1.80
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
CID 114810401
4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
CID 114804525
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 43602534
1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea
CID 62698343
2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine
CID 114804253
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzenesulfonamide
CID 28861656
4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810398
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153497
4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10761363
3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide
CID 39404850
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708820

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine (CID 114804526) is 4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine is Nc1ccc(-c2csc(NS(=O)(=O)NC3CC3)n2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine?
The InChIKey is WPDDVBNVQGYPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c13-9-3-1-8(2-4-9)11-7-19-12(14-11)16-20(17,18)15-10-5-6-10/h1-4,7,10,15H,5-6,13H2,(H,14,16).
What are the key properties of 4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine?
4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine has a molecular weight of 310.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 114804526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).