2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline

C15H17N3OS — CID 60931230

IUPAC2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCOc1cc(C)ccc1NCc1c(C)nc2sccn12
InChIInChI=1S/C15H17N3OS/c1-10-4-5-12(14(8-10)19-3)16-9-13-11(2)17-15-18(13)6-7-20-15/h4-8,16H,9H2,1-3H3
InChIKeyCMZOZUBCGQRMBV-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.63
Rot. Bonds4

About 2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline

2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (PubChem CID 60931230) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
PubChem CID60931230
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCOc1cc(C)ccc1NCc1c(C)nc2sccn12
InChIInChI=1S/C15H17N3OS/c1-10-4-5-12(14(8-10)19-3)16-9-13-11(2)17-15-18(13)6-7-20-15/h4-8,16H,9H2,1-3H3
InChIKeyCMZOZUBCGQRMBV-UHFFFAOYSA-N
XLogP3.63
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43775875
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylaniline
CID 43765886
4-bromo-2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43774905
4-chloro-2-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107632054
2-(methoxymethyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43779784
(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81389014
3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 60942648
2-chloro-5-fluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107527401
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-nitroaniline
CID 43785855
1,3-dimethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrazol-4-amine
CID 104954480
2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine
CID 43782424
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]naphthalen-2-amine
CID 43780278

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The IUPAC name of 2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (CID 60931230) is 2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is COc1cc(C)ccc1NCc1c(C)nc2sccn12.
What is the InChIKey of 2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The InChIKey is CMZOZUBCGQRMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-4-5-12(14(8-10)19-3)16-9-13-11(2)17-15-18(13)6-7-20-15/h4-8,16H,9H2,1-3H3.
What are the key properties of 2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline has a molecular weight of 287.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 60931230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).