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

C19H21N3S — CID 82028311

IUPAC4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccc(Nc2nc(-c3ccc(N)cc3)cs2)cc1
InChIInChI=1S/C19H21N3S/c1-19(2,3)14-6-10-16(11-7-14)21-18-22-17(12-23-18)13-4-8-15(20)9-5-13/h4-12H,20H2,1-3H3,(H,21,22)
InChIKeyUYLWHVAHALSJDJ-UHFFFAOYSA-N
MW323.47 g/mol
LogP5.43
Rot. Bonds3

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

4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine (PubChem CID 82028311) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
PubChem CID82028311
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccc(Nc2nc(-c3ccc(N)cc3)cs2)cc1
InChIInChI=1S/C19H21N3S/c1-19(2,3)14-6-10-16(11-7-14)21-18-22-17(12-23-18)13-4-8-15(20)9-5-13/h4-12H,20H2,1-3H3,(H,21,22)
InChIKeyUYLWHVAHALSJDJ-UHFFFAOYSA-N
XLogP5.43
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.47
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708820
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 13155729
4-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101049
4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492839
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-(4-nitrophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 158527700
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 3254844
4-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 82059186

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine (CID 82028311) is 4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine is CC(C)(C)c1ccc(Nc2nc(-c3ccc(N)cc3)cs2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine?
The InChIKey is UYLWHVAHALSJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-19(2,3)14-6-10-16(11-7-14)21-18-22-17(12-23-18)13-4-8-15(20)9-5-13/h4-12H,20H2,1-3H3,(H,21,22).
What are the key properties of 4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine?
4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine has a molecular weight of 323.47 g/mol, XLogP of 5.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82028311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).