methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate

C12H18N2O4S — CID 43407678

IUPACmethyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C12H18N2O4S/c1-9-8-19-12(17)14(9)6-4-5-10(15)13(2)7-11(16)18-3/h8H,4-7H2,1-3H3
InChIKeySRUFVJNWMQXBNS-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.63
Rot. Bonds6

About methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate

methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate (PubChem CID 43407678) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate
PubChem CID43407678
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C12H18N2O4S/c1-9-8-19-12(17)14(9)6-4-5-10(15)13(2)7-11(16)18-3/h8H,4-7H2,1-3H3
InChIKeySRUFVJNWMQXBNS-UHFFFAOYSA-N
XLogP0.63
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate (CID 43407678) is methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate is COC(=O)CN(C)C(=O)CCCn1c(C)csc1=O.
What is the InChIKey of methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate?
The InChIKey is SRUFVJNWMQXBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9-8-19-12(17)14(9)6-4-5-10(15)13(2)7-11(16)18-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate?
methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate has a molecular weight of 286.35 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetate is sourced from PubChem (CID 43407678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).