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

C17H17N3OS — CID 13155729

IUPAC4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(Nc2nc(-c3ccc(N)cc3)cs2)cc1
InChIInChI=1S/C17H17N3OS/c1-2-21-15-9-7-14(8-10-15)19-17-20-16(11-22-17)12-3-5-13(18)6-4-12/h3-11H,2,18H2,1H3,(H,19,20)
InChIKeyWOEGWALYGWVGIJ-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.53
Rot. Bonds5

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

4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 13155729) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID13155729
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(Nc2nc(-c3ccc(N)cc3)cs2)cc1
InChIInChI=1S/C17H17N3OS/c1-2-21-15-9-7-14(8-10-15)19-17-20-16(11-22-17)12-3-5-13(18)6-4-12/h3-11H,2,18H2,1H3,(H,19,20)
InChIKeyWOEGWALYGWVGIJ-UHFFFAOYSA-N
XLogP4.53
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23889663
N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 2058270
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazine;hydrobromide
CID 171114823
ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate
CID 3074896
4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 82028311
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-ethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 29457657
2-(4-aminophenyl)sulfanyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19630895
6-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343463

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine (CID 13155729) is 4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine is CCOc1ccc(Nc2nc(-c3ccc(N)cc3)cs2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is WOEGWALYGWVGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-21-15-9-7-14(8-10-15)19-17-20-16(11-22-17)12-3-5-13(18)6-4-12/h3-11H,2,18H2,1H3,(H,19,20).
What are the key properties of 4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 311.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 13155729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).