ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate

C11H11ClN2O2S — CID 14867420

IUPACethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate
SMILESCCOC(=O)/N=C1\SCN1c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O2S/c1-2-16-11(15)13-10-14(7-17-10)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3/b13-10-
InChIKeyAPQQBJRZTRTMLD-RAXLEYEMSA-N
MW270.74 g/mol
LogP3.36
Rot. Bonds2

About ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate

ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate (PubChem CID 14867420) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate
PubChem CID14867420
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Nameethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate
SMILESCCOC(=O)/N=C1\SCN1c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O2S/c1-2-16-11(15)13-10-14(7-17-10)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3/b13-10-
InChIKeyAPQQBJRZTRTMLD-RAXLEYEMSA-N
XLogP3.36
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate?
The IUPAC name of ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate (CID 14867420) is ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate.
What is the SMILES notation for ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate?
The canonical SMILES for ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate is CCOC(=O)/N=C1\SCN1c1ccc(Cl)cc1.
What is the InChIKey of ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate?
The InChIKey is APQQBJRZTRTMLD-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-2-16-11(15)13-10-14(7-17-10)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3/b13-10-.
What are the key properties of ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate?
ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate has a molecular weight of 270.74 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]carbamate is sourced from PubChem (CID 14867420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).