ethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate

C12H11ClN2O2S — CID 156824421

IUPACethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate
SMILESCCOC(=O)/N=c1\sccn1-c1ccccc1Cl
InChIInChI=1S/C12H11ClN2O2S/c1-2-17-12(16)14-11-15(7-8-18-11)10-6-4-3-5-9(10)13/h3-8H,2H2,1H3/b14-11-
InChIKeyCXRNARRULOFZCY-KAMYIIQDSA-N
MW282.75 g/mol
LogP3.25
Rot. Bonds2

About ethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate

ethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate (PubChem CID 156824421) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is ethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate
PubChem CID156824421
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Nameethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate
SMILESCCOC(=O)/N=c1\sccn1-c1ccccc1Cl
InChIInChI=1S/C12H11ClN2O2S/c1-2-17-12(16)14-11-15(7-8-18-11)10-6-4-3-5-9(10)13/h3-8H,2H2,1H3/b14-11-
InChIKeyCXRNARRULOFZCY-KAMYIIQDSA-N
XLogP3.25
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate?
The IUPAC name of ethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate (CID 156824421) is ethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate.
What is the SMILES notation for ethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate?
The canonical SMILES for ethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate is CCOC(=O)/N=c1\sccn1-c1ccccc1Cl.
What is the InChIKey of ethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate?
The InChIKey is CXRNARRULOFZCY-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-2-17-12(16)14-11-15(7-8-18-11)10-6-4-3-5-9(10)13/h3-8H,2H2,1H3/b14-11-.
What are the key properties of ethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate?
ethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate has a molecular weight of 282.75 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ)-N-[3-(2-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate is sourced from PubChem (CID 156824421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).