1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine

C11H15N3S — CID 115332399

IUPAC1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
SMILESNC(CCc1cn2ccsc2n1)C1CC1
InChIInChI=1S/C11H15N3S/c12-10(8-1-2-8)4-3-9-7-14-5-6-15-11(14)13-9/h5-8,10H,1-4,12H2
InChIKeyMJUBZVRRQXHNHV-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.07
Rot. Bonds4

About 1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine

1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine (PubChem CID 115332399) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
PubChem CID115332399
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
SMILESNC(CCc1cn2ccsc2n1)C1CC1
InChIInChI=1S/C11H15N3S/c12-10(8-1-2-8)4-3-9-7-14-5-6-15-11(14)13-9/h5-8,10H,1-4,12H2
InChIKeyMJUBZVRRQXHNHV-UHFFFAOYSA-N
XLogP2.07
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
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-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine (CID 115332399) is 1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine is NC(CCc1cn2ccsc2n1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
The InChIKey is MJUBZVRRQXHNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c12-10(8-1-2-8)4-3-9-7-14-5-6-15-11(14)13-9/h5-8,10H,1-4,12H2.
What are the key properties of 1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine has a molecular weight of 221.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine is sourced from PubChem (CID 115332399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).