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

C19H17N3S — CID 7066862

IUPACN-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1ccc(-c2nc3sccn3c2Nc2ccccc2C)cc1
InChIInChI=1S/C19H17N3S/c1-13-7-9-15(10-8-13)17-18(22-11-12-23-19(22)21-17)20-16-6-4-3-5-14(16)2/h3-12,20H,1-2H3
InChIKeyFLHCQDPYQQDMQA-UHFFFAOYSA-N
MW319.43 g/mol
LogP5.42
Rot. Bonds3

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

N-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 7066862) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID7066862
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC NameN-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1ccc(-c2nc3sccn3c2Nc2ccccc2C)cc1
InChIInChI=1S/C19H17N3S/c1-13-7-9-15(10-8-13)17-18(22-11-12-23-19(22)21-17)20-16-6-4-3-5-14(16)2/h3-12,20H,1-2H3
InChIKeyFLHCQDPYQQDMQA-UHFFFAOYSA-N
XLogP5.42
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine (CID 7066862) is N-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine is Cc1ccc(-c2nc3sccn3c2Nc2ccccc2C)cc1.
What is the InChIKey of N-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is FLHCQDPYQQDMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-13-7-9-15(10-8-13)17-18(22-11-12-23-19(22)21-17)20-16-6-4-3-5-14(16)2/h3-12,20H,1-2H3.
What are the key properties of N-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
N-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 319.43 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 7066862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).