[3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine

C15H17N3S — CID 94697340

IUPAC[3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine
SMILESCc1cc(C)c(-c2c(CN)sc3nccn23)c(C)c1
InChIInChI=1S/C15H17N3S/c1-9-6-10(2)13(11(3)7-9)14-12(8-16)19-15-17-4-5-18(14)15/h4-7H,8,16H2,1-3H3
InChIKeyYTCAIKDJSWEXBT-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.45
Rot. Bonds2

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

[3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine (PubChem CID 94697340) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is [3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine
PubChem CID94697340
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name[3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine
SMILESCc1cc(C)c(-c2c(CN)sc3nccn23)c(C)c1
InChIInChI=1S/C15H17N3S/c1-9-6-10(2)13(11(3)7-9)14-12(8-16)19-15-17-4-5-18(14)15/h4-7H,8,16H2,1-3H3
InChIKeyYTCAIKDJSWEXBT-UHFFFAOYSA-N
XLogP3.45
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine?
The IUPAC name of [3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine (CID 94697340) is [3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine.
What is the SMILES notation for [3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine?
The canonical SMILES for [3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine is Cc1cc(C)c(-c2c(CN)sc3nccn23)c(C)c1.
What is the InChIKey of [3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine?
The InChIKey is YTCAIKDJSWEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-9-6-10(2)13(11(3)7-9)14-12(8-16)19-15-17-4-5-18(14)15/h4-7H,8,16H2,1-3H3.
What are the key properties of [3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine?
[3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine has a molecular weight of 271.39 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine is sourced from PubChem (CID 94697340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).