(4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate

C9H14N2O2S — CID 144562162

IUPAC(4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate
SMILESCCc1csc(COC(=O)N(C)C)n1
InChIInChI=1S/C9H14N2O2S/c1-4-7-6-14-8(10-7)5-13-9(12)11(2)3/h6H,4-5H2,1-3H3
InChIKeyXVUORSJNPZBSNG-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.90
Rot. Bonds3

About (4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate

(4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate (PubChem CID 144562162) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate
PubChem CID144562162
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate
SMILESCCc1csc(COC(=O)N(C)C)n1
InChIInChI=1S/C9H14N2O2S/c1-4-7-6-14-8(10-7)5-13-9(12)11(2)3/h6H,4-5H2,1-3H3
InChIKeyXVUORSJNPZBSNG-UHFFFAOYSA-N
XLogP1.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate?
The IUPAC name of (4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate (CID 144562162) is (4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate.
What is the SMILES notation for (4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate?
The canonical SMILES for (4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate is CCc1csc(COC(=O)N(C)C)n1.
What is the InChIKey of (4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate?
The InChIKey is XVUORSJNPZBSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-7-6-14-8(10-7)5-13-9(12)11(2)3/h6H,4-5H2,1-3H3.
What are the key properties of (4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate?
(4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate has a molecular weight of 214.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate is sourced from PubChem (CID 144562162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).