4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

C10H18N2O2S — CID 106380212

IUPAC4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCC(NCc1csc(=O)[nH]1)C(C)C
InChIInChI=1S/C10H18N2O2S/c1-7(2)9(5-14-3)11-4-8-6-15-10(13)12-8/h6-7,9,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyDWWAELGRURZGAV-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.20
Rot. Bonds6

About 4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380212) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380212
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCC(NCc1csc(=O)[nH]1)C(C)C
InChIInChI=1S/C10H18N2O2S/c1-7(2)9(5-14-3)11-4-8-6-15-10(13)12-8/h6-7,9,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyDWWAELGRURZGAV-UHFFFAOYSA-N
XLogP1.20
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380212) is 4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is COCC(NCc1csc(=O)[nH]1)C(C)C.
What is the InChIKey of 4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DWWAELGRURZGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7(2)9(5-14-3)11-4-8-6-15-10(13)12-8/h6-7,9,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 230.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).