1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine

C16H19N3OS — CID 64681770

IUPAC1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
SMILESCCc1ccccc1CNCc1c(OC)nc2sccn12
InChIInChI=1S/C16H19N3OS/c1-3-12-6-4-5-7-13(12)10-17-11-14-15(20-2)18-16-19(14)8-9-21-16/h4-9,17H,3,10-11H2,1-2H3
InChIKeyPXCOVZKICVLTRN-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.26
Rot. Bonds6

About 1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine

1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine (PubChem CID 64681770) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
PubChem CID64681770
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
SMILESCCc1ccccc1CNCc1c(OC)nc2sccn12
InChIInChI=1S/C16H19N3OS/c1-3-12-6-4-5-7-13(12)10-17-11-14-15(20-2)18-16-19(14)8-9-21-16/h4-9,17H,3,10-11H2,1-2H3
InChIKeyPXCOVZKICVLTRN-UHFFFAOYSA-N
XLogP3.26
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine (CID 64681770) is 1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine is CCc1ccccc1CNCc1c(OC)nc2sccn12.
What is the InChIKey of 1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The InChIKey is PXCOVZKICVLTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-12-6-4-5-7-13(12)10-17-11-14-15(20-2)18-16-19(14)8-9-21-16/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine has a molecular weight of 301.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 64681770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).