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

C11H20N2O2S — CID 106380064

IUPAC4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOC(C)(C)CC(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H20N2O2S/c1-8(5-11(2,3)15-4)12-6-9-7-16-10(14)13-9/h7-8,12H,5-6H2,1-4H3,(H,13,14)
InChIKeyZFJHJTVOGRUULL-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.73
Rot. Bonds6

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

4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380064) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380064
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOC(C)(C)CC(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H20N2O2S/c1-8(5-11(2,3)15-4)12-6-9-7-16-10(14)13-9/h7-8,12H,5-6H2,1-4H3,(H,13,14)
InChIKeyZFJHJTVOGRUULL-UHFFFAOYSA-N
XLogP1.73
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379634
4-[(4-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379815
4-[[(3-methoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379865
4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379867
4-[(4-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380138
4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380209
4-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380422
4-[[(3-hydroxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380758
4-[[(2-amino-4-methoxybutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381753
4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181260
4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181320

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380064) is 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is COC(C)(C)CC(C)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ZFJHJTVOGRUULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8(5-11(2,3)15-4)12-6-9-7-16-10(14)13-9/h7-8,12H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 244.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).