ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate

C9H12N2O2S — CID 60745271

IUPACethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C9H12N2O2S/c1-2-13-9(12)11-8-10-7(5-14-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyIHBZIVZDKZWSNO-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.59
Rot. Bonds3

About ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate

ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate (PubChem CID 60745271) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate
PubChem CID60745271
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Nameethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C9H12N2O2S/c1-2-13-9(12)11-8-10-7(5-14-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyIHBZIVZDKZWSNO-UHFFFAOYSA-N
XLogP2.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate (CID 60745271) is ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate is CCOC(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is IHBZIVZDKZWSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-13-9(12)11-8-10-7(5-14-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11,12).
What are the key properties of ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 212.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 60745271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).