3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine

C26H31N3OS — CID 102310653

IUPAC3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1ccc(-c2csc3nc(-c4ccccc4)c(NC(C)(C)CC(C)(C)C)n23)cc1
InChIInChI=1S/C26H31N3OS/c1-25(2,3)17-26(4,5)28-23-22(19-10-8-7-9-11-19)27-24-29(23)21(16-31-24)18-12-14-20(30-6)15-13-18/h7-16,28H,17H2,1-6H3
InChIKeySMRBVNPGQAPULY-UHFFFAOYSA-N
MW433.62 g/mol
LogP7.37
Rot. Bonds6

About 3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine

3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 102310653) has the molecular formula C26H31N3OS and a molecular weight of 433.62 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID102310653
Molecular FormulaC26H31N3OS
Molecular Weight433.62 g/mol
Exact Mass433.22
IUPAC Name3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1ccc(-c2csc3nc(-c4ccccc4)c(NC(C)(C)CC(C)(C)C)n23)cc1
InChIInChI=1S/C26H31N3OS/c1-25(2,3)17-26(4,5)28-23-22(19-10-8-7-9-11-19)27-24-29(23)21(16-31-24)18-12-14-20(30-6)15-13-18/h7-16,28H,17H2,1-6H3
InChIKeySMRBVNPGQAPULY-UHFFFAOYSA-N
XLogP7.37
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine (CID 102310653) is 3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine is COc1ccc(-c2csc3nc(-c4ccccc4)c(NC(C)(C)CC(C)(C)C)n23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is SMRBVNPGQAPULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3OS/c1-25(2,3)17-26(4,5)28-23-22(19-10-8-7-9-11-19)27-24-29(23)21(16-31-24)18-12-14-20(30-6)15-13-18/h7-16,28H,17H2,1-6H3.
What are the key properties of 3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine?
3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 433.62 g/mol, XLogP of 7.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 102310653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).