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

C20H25N3OS — CID 39197518

IUPAC[3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESC=C(C)COc1ccc(-c2nc3scc(C(C)(C)C)n3c2CN)cc1
InChIInChI=1S/C20H25N3OS/c1-13(2)11-24-15-8-6-14(7-9-15)18-16(10-21)23-17(20(3,4)5)12-25-19(23)22-18/h6-9,12H,1,10-11,21H2,2-5H3
InChIKeyAAJMYBUSIIZIAY-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.77
Rot. Bonds5

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

[3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 39197518) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is [3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID39197518
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name[3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESC=C(C)COc1ccc(-c2nc3scc(C(C)(C)C)n3c2CN)cc1
InChIInChI=1S/C20H25N3OS/c1-13(2)11-24-15-8-6-14(7-9-15)18-16(10-21)23-17(20(3,4)5)12-25-19(23)22-18/h6-9,12H,1,10-11,21H2,2-5H3
InChIKeyAAJMYBUSIIZIAY-UHFFFAOYSA-N
XLogP4.77
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.77
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

[6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196762
[2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197000
[8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199582
3-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035884
[6-(4-methoxyphenyl)-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196674
6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198130
[6-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 39125924
2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 92914402
[6-(4-methoxyphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197044
2-cyclopropyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197982
3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 93206543
3,8-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-6-amine
CID 94823737

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 39197518) is [3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is C=C(C)COc1ccc(-c2nc3scc(C(C)(C)C)n3c2CN)cc1.
What is the InChIKey of [3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is AAJMYBUSIIZIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-13(2)11-24-15-8-6-14(7-9-15)18-16(10-21)23-17(20(3,4)5)12-25-19(23)22-18/h6-9,12H,1,10-11,21H2,2-5H3.
What are the key properties of [3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 355.51 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 39197518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).