(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine

C8H11N3S — CID 95048232

IUPAC(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
SMILESCC[C@H](N)c1cn2ccsc2n1
InChIInChI=1S/C8H11N3S/c1-2-6(9)7-5-11-3-4-12-8(11)10-7/h3-6H,2,9H2,1H3/t6-/m0/s1
InChIKeyNRSSYTGBJIWIMD-LURJTMIESA-N
MW181.26 g/mol
LogP1.81
Rot. Bonds2

About (1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine

(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine (PubChem CID 95048232) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is (1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
PubChem CID95048232
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
SMILESCC[C@H](N)c1cn2ccsc2n1
InChIInChI=1S/C8H11N3S/c1-2-6(9)7-5-11-3-4-12-8(11)10-7/h3-6H,2,9H2,1H3/t6-/m0/s1
InChIKeyNRSSYTGBJIWIMD-LURJTMIESA-N
XLogP1.81
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
The IUPAC name of (1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine (CID 95048232) is (1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine.
What is the SMILES notation for (1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
The canonical SMILES for (1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine is CC[C@H](N)c1cn2ccsc2n1.
What is the InChIKey of (1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
The InChIKey is NRSSYTGBJIWIMD-LURJTMIESA-N. The full InChI is InChI=1S/C8H11N3S/c1-2-6(9)7-5-11-3-4-12-8(11)10-7/h3-6H,2,9H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine has a molecular weight of 181.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine is sourced from PubChem (CID 95048232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).