4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one

C10H16N2O2S — CID 106380225

IUPAC4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCC(NCc1csc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H16N2O2S/c1-14-5-9(7-2-3-7)11-4-8-6-15-10(13)12-8/h6-7,9,11H,2-5H2,1H3,(H,12,13)
InChIKeyBYBYUPYXUIVMOB-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.95
Rot. Bonds6

About 4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380225) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380225
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCC(NCc1csc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H16N2O2S/c1-14-5-9(7-2-3-7)11-4-8-6-15-10(13)12-8/h6-7,9,11H,2-5H2,1H3,(H,12,13)
InChIKeyBYBYUPYXUIVMOB-UHFFFAOYSA-N
XLogP0.95
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380225) is 4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one is COCC(NCc1csc(=O)[nH]1)C1CC1.
What is the InChIKey of 4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is BYBYUPYXUIVMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-14-5-9(7-2-3-7)11-4-8-6-15-10(13)12-8/h6-7,9,11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 228.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).