4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline

C18H15N3S — CID 39079843

IUPAC4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline
SMILESCc1ccc(-c2cn3c(-c4ccc(N)cc4)csc3n2)cc1
InChIInChI=1S/C18H15N3S/c1-12-2-4-13(5-3-12)16-10-21-17(11-22-18(21)20-16)14-6-8-15(19)9-7-14/h2-11H,19H2,1H3
InChIKeyJXVGEHMSOPBOQF-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.62
Rot. Bonds2

About 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline

4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline (PubChem CID 39079843) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline.

Molecular Properties

Compound Name4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline
PubChem CID39079843
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline
SMILESCc1ccc(-c2cn3c(-c4ccc(N)cc4)csc3n2)cc1
InChIInChI=1S/C18H15N3S/c1-12-2-4-13(5-3-12)16-10-21-17(11-22-18(21)20-16)14-6-8-15(19)9-7-14/h2-11H,19H2,1H3
InChIKeyJXVGEHMSOPBOQF-UHFFFAOYSA-N
XLogP4.62
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline?
The IUPAC name of 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline (CID 39079843) is 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline.
What is the SMILES notation for 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline?
The canonical SMILES for 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline is Cc1ccc(-c2cn3c(-c4ccc(N)cc4)csc3n2)cc1.
What is the InChIKey of 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline?
The InChIKey is JXVGEHMSOPBOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-12-2-4-13(5-3-12)16-10-21-17(11-22-18(21)20-16)14-6-8-15(19)9-7-14/h2-11H,19H2,1H3.
What are the key properties of 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline?
4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline has a molecular weight of 305.41 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline is sourced from PubChem (CID 39079843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).