2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C14H15N3S — CID 39195092

IUPAC2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2csc3ncc(CCN)n23)cc1
InChIInChI=1S/C14H15N3S/c1-10-2-4-11(5-3-10)13-9-18-14-16-8-12(6-7-15)17(13)14/h2-5,8-9H,6-7,15H2,1H3
InChIKeyINIIGAAPUNPVBZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.87
Rot. Bonds3

About 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 39195092) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID39195092
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2csc3ncc(CCN)n23)cc1
InChIInChI=1S/C14H15N3S/c1-10-2-4-11(5-3-10)13-9-18-14-16-8-12(6-7-15)17(13)14/h2-5,8-9H,6-7,15H2,1H3
InChIKeyINIIGAAPUNPVBZ-UHFFFAOYSA-N
XLogP2.87
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 39195092) is 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is Cc1ccc(-c2csc3ncc(CCN)n23)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is INIIGAAPUNPVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10-2-4-11(5-3-10)13-9-18-14-16-8-12(6-7-15)17(13)14/h2-5,8-9H,6-7,15H2,1H3.
What are the key properties of 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 257.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 39195092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).