1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine

C9H13N3S — CID 89012546

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine
SMILESCCC(NC)c1cn2ccsc2n1
InChIInChI=1S/C9H13N3S/c1-3-7(10-2)8-6-12-4-5-13-9(12)11-8/h4-7,10H,3H2,1-2H3
InChIKeyAYNNASADFMXHFF-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.07
Rot. Bonds3

About 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine

1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine (PubChem CID 89012546) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine
PubChem CID89012546
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine
SMILESCCC(NC)c1cn2ccsc2n1
InChIInChI=1S/C9H13N3S/c1-3-7(10-2)8-6-12-4-5-13-9(12)11-8/h4-7,10H,3H2,1-2H3
InChIKeyAYNNASADFMXHFF-UHFFFAOYSA-N
XLogP2.07
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine (CID 89012546) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine is CCC(NC)c1cn2ccsc2n1.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine?
The InChIKey is AYNNASADFMXHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-3-7(10-2)8-6-12-4-5-13-9(12)11-8/h4-7,10H,3H2,1-2H3.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine?
1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine has a molecular weight of 195.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine is sourced from PubChem (CID 89012546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).