1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine

C18H19N3S — CID 93206370

IUPAC1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine
SMILESCCc1ccc(-c2csc(Nc3ccc(C)c(N)c3)n2)cc1
InChIInChI=1S/C18H19N3S/c1-3-13-5-7-14(8-6-13)17-11-22-18(21-17)20-15-9-4-12(2)16(19)10-15/h4-11H,3,19H2,1-2H3,(H,20,21)
InChIKeyQMBMVZPRUKMNGF-UHFFFAOYSA-N
MW309.44 g/mol
LogP5.01
Rot. Bonds4

About 1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine

1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine (PubChem CID 93206370) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine
PubChem CID93206370
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine
SMILESCCc1ccc(-c2csc(Nc3ccc(C)c(N)c3)n2)cc1
InChIInChI=1S/C18H19N3S/c1-3-13-5-7-14(8-6-13)17-11-22-18(21-17)20-15-9-4-12(2)16(19)10-15/h4-11H,3,19H2,1-2H3,(H,20,21)
InChIKeyQMBMVZPRUKMNGF-UHFFFAOYSA-N
XLogP5.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.44
LogP ≤ 55.01
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-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059246
4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 23889662
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
4-methyl-1-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059232
N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 24505657
[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea
CID 100741988
N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 2214320
N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23804659

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine?
The IUPAC name of 1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine (CID 93206370) is 1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine is CCc1ccc(-c2csc(Nc3ccc(C)c(N)c3)n2)cc1.
What is the InChIKey of 1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine?
The InChIKey is QMBMVZPRUKMNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-3-13-5-7-14(8-6-13)17-11-22-18(21-17)20-15-9-4-12(2)16(19)10-15/h4-11H,3,19H2,1-2H3,(H,20,21).
What are the key properties of 1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine?
1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine has a molecular weight of 309.44 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 93206370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).