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

C10H12N4O2S2 — CID 114804525

IUPAC4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
SMILESCNS(=O)(=O)Nc1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C10H12N4O2S2/c1-12-18(15,16)14-10-13-9(6-17-10)7-2-4-8(11)5-3-7/h2-6,12H,11H2,1H3,(H,13,14)
InChIKeyQTELVNNJVZANPP-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.27
Rot. Bonds4

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

4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine (PubChem CID 114804525) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
PubChem CID114804525
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
SMILESCNS(=O)(=O)Nc1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C10H12N4O2S2/c1-12-18(15,16)14-10-13-9(6-17-10)7-2-4-8(11)5-3-7/h2-6,12H,11H2,1H3,(H,13,14)
InChIKeyQTELVNNJVZANPP-UHFFFAOYSA-N
XLogP1.27
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.27
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-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
CID 114804526
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 43602534
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzenesulfonamide
CID 28861656
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-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810398
4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10761363
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 3254844
4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
CID 114810401
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
CID 63689550
4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 82028311
4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole
CID 18870687

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine (CID 114804525) is 4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine is CNS(=O)(=O)Nc1nc(-c2ccc(N)cc2)cs1.
What is the InChIKey of 4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine?
The InChIKey is QTELVNNJVZANPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-12-18(15,16)14-10-13-9(6-17-10)7-2-4-8(11)5-3-7/h2-6,12H,11H2,1H3,(H,13,14).
What are the key properties of 4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine?
4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine has a molecular weight of 284.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 114804525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).