[6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C17H19N3OS — CID 39196762

IUPAC[6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESC=C(C)COc1ccc(-c2csc3nc(C)c(CN)n23)cc1
InChIInChI=1S/C17H19N3OS/c1-11(2)9-21-14-6-4-13(5-7-14)16-10-22-17-19-12(3)15(8-18)20(16)17/h4-7,10H,1,8-9,18H2,2-3H3
InChIKeyOHWAOBMVFNPHNJ-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.78
Rot. Bonds5

About [6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 39196762) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is [6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID39196762
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name[6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESC=C(C)COc1ccc(-c2csc3nc(C)c(CN)n23)cc1
InChIInChI=1S/C17H19N3OS/c1-11(2)9-21-14-6-4-13(5-7-14)16-10-22-17-19-12(3)15(8-18)20(16)17/h4-7,10H,1,8-9,18H2,2-3H3
InChIKeyOHWAOBMVFNPHNJ-UHFFFAOYSA-N
XLogP3.78
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197518
3-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035884
[2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197000
2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194860
6-methyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068565
2-ethyl-6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035892
[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196560
3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068425
2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062405
[6-(4-methoxyphenyl)-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196674
2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 98019202
6-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 82059401

Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 39196762) is [6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is C=C(C)COc1ccc(-c2csc3nc(C)c(CN)n23)cc1.
What is the InChIKey of [6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is OHWAOBMVFNPHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11(2)9-21-14-6-4-13(5-7-14)16-10-22-17-19-12(3)15(8-18)20(16)17/h4-7,10H,1,8-9,18H2,2-3H3.
What are the key properties of [6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 313.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 39196762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).