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

C10H18N2O2S — CID 106379634

IUPAC4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOC(C)(C)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O2S/c1-10(2,14-3)4-5-11-6-8-7-15-9(13)12-8/h7,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyFTVBICZUSRPEGE-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.34
Rot. Bonds6

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

4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379634) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379634
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOC(C)(C)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O2S/c1-10(2,14-3)4-5-11-6-8-7-15-9(13)12-8/h7,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyFTVBICZUSRPEGE-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379635
tert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate
CID 106379636
4-[(4-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379815
4-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379867
4-[(3-methylbutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379884
4-[(3,3-dimethylbutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380060
4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380064
4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380101
4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380386
4-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380738
4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380743
4-[[(3-hydroxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380758

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379634) is 4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one is COC(C)(C)CCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FTVBICZUSRPEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-10(2,14-3)4-5-11-6-8-7-15-9(13)12-8/h7,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 230.33 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).