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

C13H19N3OS — CID 63221874

IUPACN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCc1nc2sccn2c1CNCC1CCOCC1
InChIInChI=1S/C13H19N3OS/c1-10-12(16-4-7-18-13(16)15-10)9-14-8-11-2-5-17-6-3-11/h4,7,11,14H,2-3,5-6,8-9H2,1H3
InChIKeyYKHRTDKAWCAUTO-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.22
Rot. Bonds4

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

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 63221874) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID63221874
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCc1nc2sccn2c1CNCC1CCOCC1
InChIInChI=1S/C13H19N3OS/c1-10-12(16-4-7-18-13(16)15-10)9-14-8-11-2-5-17-6-3-11/h4,7,11,14H,2-3,5-6,8-9H2,1H3
InChIKeyYKHRTDKAWCAUTO-UHFFFAOYSA-N
XLogP2.22
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743491
1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 95337467
2-cyclohexyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932062
2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992617
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]prop-2-en-1-amine
CID 114615701
methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate
CID 54920768
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 96510850
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43433381
N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 103735955
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propane-1,2-diol
CID 66178002
1-[[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 63221875

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine (CID 63221874) is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine is Cc1nc2sccn2c1CNCC1CCOCC1.
What is the InChIKey of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is YKHRTDKAWCAUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-12(16-4-7-18-13(16)15-10)9-14-8-11-2-5-17-6-3-11/h4,7,11,14H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine?
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 265.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 63221874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).