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

C16H19N3S — CID 82061892

IUPAC[2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
SMILESCc1sc2nc(CN)cn2c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H19N3S/c1-10(2)12-4-6-13(7-5-12)15-11(3)20-16-18-14(8-17)9-19(15)16/h4-7,9-10H,8,17H2,1-3H3
InChIKeyYENQJESRLWSLFL-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.95
Rot. Bonds3

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

[2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine (PubChem CID 82061892) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is [2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
PubChem CID82061892
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name[2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
SMILESCc1sc2nc(CN)cn2c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H19N3S/c1-10(2)12-4-6-13(7-5-12)15-11(3)20-16-18-14(8-17)9-19(15)16/h4-7,9-10H,8,17H2,1-3H3
InChIKeyYENQJESRLWSLFL-UHFFFAOYSA-N
XLogP3.95
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 82061889
(2-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanamine
CID 82062044
[3-(2,4-dimethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 82061943
[2-methyl-3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol
CID 82062011
[3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine
CID 94697335
[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
CID 39349446
[3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol
CID 82062099
[2-methyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]methanamine
CID 82288618
2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200734
2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 39200811
[2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 82478593
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine?
The IUPAC name of [2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine (CID 82061892) is [2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine.
What is the SMILES notation for [2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine?
The canonical SMILES for [2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine is Cc1sc2nc(CN)cn2c1-c1ccc(C(C)C)cc1.
What is the InChIKey of [2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine?
The InChIKey is YENQJESRLWSLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-10(2)12-4-6-13(7-5-12)15-11(3)20-16-18-14(8-17)9-19(15)16/h4-7,9-10H,8,17H2,1-3H3.
What are the key properties of [2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine?
[2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine has a molecular weight of 285.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine is sourced from PubChem (CID 82061892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).