2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate

C9H14N2O3S — CID 87488471

IUPAC2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
SMILESCOCCOC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C9H14N2O3S/c1-6-7(2)15-8(10-6)11-9(12)14-5-4-13-3/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyABWUVBFWYNQVPM-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.95
Rot. Bonds4

About 2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate

2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate (PubChem CID 87488471) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
PubChem CID87488471
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
SMILESCOCCOC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C9H14N2O3S/c1-6-7(2)15-8(10-6)11-9(12)14-5-4-13-3/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyABWUVBFWYNQVPM-UHFFFAOYSA-N
XLogP1.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of 2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate (CID 87488471) is 2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for 2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for 2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate is COCCOC(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of 2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is ABWUVBFWYNQVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6-7(2)15-8(10-6)11-9(12)14-5-4-13-3/h4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 230.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 87488471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).