4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

C8H14N2O2S — CID 106380176

IUPAC4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCOCC(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O2S/c1-6(4-12-2)9-3-7-5-13-8(11)10-7/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyZQADGFXTAAJRRB-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.56
Rot. Bonds5

About 4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380176) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380176
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCOCC(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O2S/c1-6(4-12-2)9-3-7-5-13-8(11)10-7/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyZQADGFXTAAJRRB-UHFFFAOYSA-N
XLogP0.56
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380176) is 4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is COCC(C)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ZQADGFXTAAJRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6(4-12-2)9-3-7-5-13-8(11)10-7/h5-6,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 202.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).