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

C17H19N3OS — CID 39197000

IUPAC[2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESC=C(C)COc1ccc(-c2nc3sc(C)cn3c2CN)cc1
InChIInChI=1S/C17H19N3OS/c1-11(2)10-21-14-6-4-13(5-7-14)16-15(8-18)20-9-12(3)22-17(20)19-16/h4-7,9H,1,8,10,18H2,2-3H3
InChIKeyMVPIEEVYSHDJJT-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.78
Rot. Bonds5

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

[2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 39197000) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is [2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID39197000
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name[2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESC=C(C)COc1ccc(-c2nc3sc(C)cn3c2CN)cc1
InChIInChI=1S/C17H19N3OS/c1-11(2)10-21-14-6-4-13(5-7-14)16-15(8-18)20-9-12(3)22-17(20)19-16/h4-7,9H,1,8,10,18H2,2-3H3
InChIKeyMVPIEEVYSHDJJT-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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Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 39197000) is [2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is C=C(C)COc1ccc(-c2nc3sc(C)cn3c2CN)cc1.
What is the InChIKey of [2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is MVPIEEVYSHDJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11(2)10-21-14-6-4-13(5-7-14)16-15(8-18)20-9-12(3)22-17(20)19-16/h4-7,9H,1,8,10,18H2,2-3H3.
What are the key properties of [2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[2-methyl-6-[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 [2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 39197000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).