6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine

C17H14N4S — CID 93216195

IUPAC6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1ccc(-c2nc3scc(-c4cccnc4)n3c2N)cc1
InChIInChI=1S/C17H14N4S/c1-11-4-6-12(7-5-11)15-16(18)21-14(10-22-17(21)20-15)13-3-2-8-19-9-13/h2-10H,18H2,1H3
InChIKeyJQUICUNSFDCYIV-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.02
Rot. Bonds2

About 6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine

6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 93216195) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID93216195
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1ccc(-c2nc3scc(-c4cccnc4)n3c2N)cc1
InChIInChI=1S/C17H14N4S/c1-11-4-6-12(7-5-11)15-16(18)21-14(10-22-17(21)20-15)13-3-2-8-19-9-13/h2-10H,18H2,1H3
InChIKeyJQUICUNSFDCYIV-UHFFFAOYSA-N
XLogP4.02
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine (CID 93216195) is 6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine is Cc1ccc(-c2nc3scc(-c4cccnc4)n3c2N)cc1.
What is the InChIKey of 6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is JQUICUNSFDCYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-11-4-6-12(7-5-11)15-16(18)21-14(10-22-17(21)20-15)13-3-2-8-19-9-13/h2-10H,18H2,1H3.
What are the key properties of 6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine?
6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 306.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 93216195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).