(2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate

C8H11NO3S — CID 134971703

IUPAC(2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate
SMILESCOc1nc(COC(C)=O)c(C)s1
InChIInChI=1S/C8H11NO3S/c1-5-7(4-12-6(2)10)9-8(11-3)13-5/h4H2,1-3H3
InChIKeyRFCMTHIPURYVEC-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.52
Rot. Bonds3

About (2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate

(2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate (PubChem CID 134971703) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is (2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate.

Molecular Properties

Compound Name(2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate
PubChem CID134971703
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name(2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate
SMILESCOc1nc(COC(C)=O)c(C)s1
InChIInChI=1S/C8H11NO3S/c1-5-7(4-12-6(2)10)9-8(11-3)13-5/h4H2,1-3H3
InChIKeyRFCMTHIPURYVEC-UHFFFAOYSA-N
XLogP1.52
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate?
The IUPAC name of (2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate (CID 134971703) is (2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate.
What is the SMILES notation for (2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate?
The canonical SMILES for (2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate is COc1nc(COC(C)=O)c(C)s1.
What is the InChIKey of (2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate?
The InChIKey is RFCMTHIPURYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-5-7(4-12-6(2)10)9-8(11-3)13-5/h4H2,1-3H3.
What are the key properties of (2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate?
(2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate has a molecular weight of 201.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate is sourced from PubChem (CID 134971703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).