N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide

C10H9ClN2OS — CID 14867426

IUPACN-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1\SCN1c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2OS/c1-7(14)12-10-13(6-15-10)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3/b12-10-
InChIKeyJSEMETNWKNJMTN-BENRWUELSA-N
MW240.72 g/mol
LogP2.75
Rot. Bonds1

About N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide

N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide (PubChem CID 14867426) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide
PubChem CID14867426
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC NameN-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1\SCN1c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2OS/c1-7(14)12-10-13(6-15-10)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3/b12-10-
InChIKeyJSEMETNWKNJMTN-BENRWUELSA-N
XLogP2.75
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide (CID 14867426) is N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide is CC(=O)/N=C1\SCN1c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide?
The InChIKey is JSEMETNWKNJMTN-BENRWUELSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-7(14)12-10-13(6-15-10)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3/b12-10-.
What are the key properties of N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide?
N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide has a molecular weight of 240.72 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1,3-thiazetidin-2-ylidene]acetamide is sourced from PubChem (CID 14867426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).