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

C13H21N3OS — CID 65047805

IUPAC1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
SMILESCOCC(NCc1c(C)nc2sccn12)C(C)C
InChIInChI=1S/C13H21N3OS/c1-9(2)11(8-17-4)14-7-12-10(3)15-13-16(12)5-6-18-13/h5-6,9,11,14H,7-8H2,1-4H3
InChIKeyZKOZAEANLZDSNK-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.46
Rot. Bonds6

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

1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine (PubChem CID 65047805) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
PubChem CID65047805
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
SMILESCOCC(NCc1c(C)nc2sccn12)C(C)C
InChIInChI=1S/C13H21N3OS/c1-9(2)11(8-17-4)14-7-12-10(3)15-13-16(12)5-6-18-13/h5-6,9,11,14H,7-8H2,1-4H3
InChIKeyZKOZAEANLZDSNK-UHFFFAOYSA-N
XLogP2.46
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine (CID 65047805) is 1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine is COCC(NCc1c(C)nc2sccn12)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine?
The InChIKey is ZKOZAEANLZDSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)11(8-17-4)14-7-12-10(3)15-13-16(12)5-6-18-13/h5-6,9,11,14H,7-8H2,1-4H3.
What are the key properties of 1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine?
1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine has a molecular weight of 267.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 65047805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).