1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone

C8H10N2OS — CID 159715371

IUPAC1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(N)nc1C1CC1
InChIInChI=1S/C8H10N2OS/c1-4(11)7-6(5-2-3-5)10-8(9)12-7/h5H,2-3H2,1H3,(H2,9,10)
InChIKeyXXPSSZLITWGDAE-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.81
Rot. Bonds2

About 1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone

1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone (PubChem CID 159715371) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone
PubChem CID159715371
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(N)nc1C1CC1
InChIInChI=1S/C8H10N2OS/c1-4(11)7-6(5-2-3-5)10-8(9)12-7/h5H,2-3H2,1H3,(H2,9,10)
InChIKeyXXPSSZLITWGDAE-UHFFFAOYSA-N
XLogP1.81
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone (CID 159715371) is 1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(N)nc1C1CC1.
What is the InChIKey of 1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is XXPSSZLITWGDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-4(11)7-6(5-2-3-5)10-8(9)12-7/h5H,2-3H2,1H3,(H2,9,10).
What are the key properties of 1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone?
1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 182.25 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 1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 159715371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).