ethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate

C7H10N2O2S — CID 20501195

IUPACethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate
SMILESCCOC(=O)Nc1cc(C)ns1
InChIInChI=1S/C7H10N2O2S/c1-3-11-7(10)8-6-4-5(2)9-12-6/h4H,3H2,1-2H3,(H,8,10)
InChIKeyXYFWLTTUKUJDOL-UHFFFAOYSA-N
MW186.24 g/mol
LogP2.02
Rot. Bonds2

About ethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate

ethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate (PubChem CID 20501195) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is ethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate
PubChem CID20501195
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Nameethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate
SMILESCCOC(=O)Nc1cc(C)ns1
InChIInChI=1S/C7H10N2O2S/c1-3-11-7(10)8-6-4-5(2)9-12-6/h4H,3H2,1-2H3,(H,8,10)
InChIKeyXYFWLTTUKUJDOL-UHFFFAOYSA-N
XLogP2.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate?
The IUPAC name of ethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate (CID 20501195) is ethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate?
The canonical SMILES for ethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate is CCOC(=O)Nc1cc(C)ns1.
What is the InChIKey of ethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate?
The InChIKey is XYFWLTTUKUJDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-11-7(10)8-6-4-5(2)9-12-6/h4H,3H2,1-2H3,(H,8,10).
What are the key properties of ethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate?
ethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate has a molecular weight of 186.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-methyl-1,2-thiazol-5-yl)carbamate is sourced from PubChem (CID 20501195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).