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

C15H25N3S2 — CID 107761552

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)C(C)Sc1nc2sccn2c1CNC(C)(C)C
InChIInChI=1S/C15H25N3S2/c1-10(2)11(3)20-13-12(9-16-15(4,5)6)18-7-8-19-14(18)17-13/h7-8,10-11,16H,9H2,1-6H3
InChIKeyORGWTDLQXAHWNE-UHFFFAOYSA-N
MW311.52 g/mol
LogP4.42
Rot. Bonds5

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

2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine (PubChem CID 107761552) has the molecular formula C15H25N3S2 and a molecular weight of 311.52 g/mol. Its IUPAC name is 2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
PubChem CID107761552
Molecular FormulaC15H25N3S2
Molecular Weight311.52 g/mol
Exact Mass311.15
IUPAC Name2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)C(C)Sc1nc2sccn2c1CNC(C)(C)C
InChIInChI=1S/C15H25N3S2/c1-10(2)11(3)20-13-12(9-16-15(4,5)6)18-7-8-19-14(18)17-13/h7-8,10-11,16H,9H2,1-6H3
InChIKeyORGWTDLQXAHWNE-UHFFFAOYSA-N
XLogP4.42
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine (CID 107761552) is 2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine is CC(C)C(C)Sc1nc2sccn2c1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is ORGWTDLQXAHWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S2/c1-10(2)11(3)20-13-12(9-16-15(4,5)6)18-7-8-19-14(18)17-13/h7-8,10-11,16H,9H2,1-6H3.
What are the key properties of 2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 311.52 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 107761552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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