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

C18H19N3S — CID 39131522

IUPAC4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCCN(c1cccc(C)c1)c1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C18H19N3S/c1-3-21(16-6-4-5-13(2)11-16)18-20-17(12-22-18)14-7-9-15(19)10-8-14/h4-12H,3,19H2,1-2H3
InChIKeyNEXSFIRMFMJUQT-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.86
Rot. Bonds4

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

4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 39131522) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID39131522
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCCN(c1cccc(C)c1)c1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C18H19N3S/c1-3-21(16-6-4-5-13(2)11-16)18-20-17(12-22-18)14-7-9-15(19)10-8-14/h4-12H,3,19H2,1-2H3
InChIKeyNEXSFIRMFMJUQT-UHFFFAOYSA-N
XLogP4.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107040080
4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 46398312
4-chloro-N-ethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine
CID 83157073
2-(N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93307136
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563
5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine
CID 103360645
5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 62768709
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
4-ethoxy-N-(3-methylphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2554505
5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697115
5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile
CID 61076219

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine (CID 39131522) is 4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine is CCN(c1cccc(C)c1)c1nc(-c2ccc(N)cc2)cs1.
What is the InChIKey of 4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is NEXSFIRMFMJUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-3-21(16-6-4-5-13(2)11-16)18-20-17(12-22-18)14-7-9-15(19)10-8-14/h4-12H,3,19H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine?
4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 309.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 39131522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).