ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate

C7H10N2O2S — CID 131232981

IUPACethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate
SMILESCCOC(=O)N=c1sccn1C
InChIInChI=1S/C7H10N2O2S/c1-3-11-7(10)8-6-9(2)4-5-12-6/h4-5H,3H2,1-2H3
InChIKeyZIOWZQJPIRAUJV-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.14
Rot. Bonds1

About ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate

ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate (PubChem CID 131232981) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate
PubChem CID131232981
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Nameethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate
SMILESCCOC(=O)N=c1sccn1C
InChIInChI=1S/C7H10N2O2S/c1-3-11-7(10)8-6-9(2)4-5-12-6/h4-5H,3H2,1-2H3
InChIKeyZIOWZQJPIRAUJV-UHFFFAOYSA-N
XLogP1.14
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate?
The IUPAC name of ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate (CID 131232981) is ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate.
What is the SMILES notation for ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate?
The canonical SMILES for ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate is CCOC(=O)N=c1sccn1C.
What is the InChIKey of ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate?
The InChIKey is ZIOWZQJPIRAUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-11-7(10)8-6-9(2)4-5-12-6/h4-5H,3H2,1-2H3.
What are the key properties of ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate?
ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate has a molecular weight of 186.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate is sourced from PubChem (CID 131232981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).