N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine

C16H19N3OS — CID 43476692

IUPACN-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
SMILESCc1ccccc1Oc1nc2sccn2c1CNC(C)C
InChIInChI=1S/C16H19N3OS/c1-11(2)17-10-13-15(18-16-19(13)8-9-21-16)20-14-7-5-4-6-12(14)3/h4-9,11,17H,10H2,1-3H3
InChIKeyIYSMTERZZJMJAT-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.99
Rot. Bonds5

About N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine

N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine (PubChem CID 43476692) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
PubChem CID43476692
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
SMILESCc1ccccc1Oc1nc2sccn2c1CNC(C)C
InChIInChI=1S/C16H19N3OS/c1-11(2)17-10-13-15(18-16-19(13)8-9-21-16)20-14-7-5-4-6-12(14)3/h4-9,11,17H,10H2,1-3H3
InChIKeyIYSMTERZZJMJAT-UHFFFAOYSA-N
XLogP3.99
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476132
N-[[6-[(6-methyl-3-pyridinyl)oxy]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 62074983
N-[[6-(2-methoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476724
(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81389014
N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine
CID 43479817
N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63805227
[6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476743
1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63037655
1-(2-bromophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43780223
N-[(6-pyrazol-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 43476542
(1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81350416
(1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369770

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine (CID 43476692) is N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine is Cc1ccccc1Oc1nc2sccn2c1CNC(C)C.
What is the InChIKey of N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is IYSMTERZZJMJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11(2)17-10-13-15(18-16-19(13)8-9-21-16)20-14-7-5-4-6-12(14)3/h4-9,11,17H,10H2,1-3H3.
What are the key properties of N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 301.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 43476692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).