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

C12H11ClN2O2S — CID 156824360

IUPACethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate
SMILESCCOC(=O)/N=c1\sccn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O2S/c1-2-17-12(16)14-11-15(7-8-18-11)10-5-3-9(13)4-6-10/h3-8H,2H2,1H3/b14-11-
InChIKeyBUERJJSNPOEMGI-KAMYIIQDSA-N
MW282.75 g/mol
LogP3.25
Rot. Bonds2

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

ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate (PubChem CID 156824360) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate
PubChem CID156824360
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Nameethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate
SMILESCCOC(=O)/N=c1\sccn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O2S/c1-2-17-12(16)14-11-15(7-8-18-11)10-5-3-9(13)4-6-10/h3-8H,2H2,1H3/b14-11-
InChIKeyBUERJJSNPOEMGI-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

Analyze ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide
CID 1431156
2-[(4-chlorophenyl)(methyl)amino]-1,3-thiazol-4(5H)-one
CID 976222
(Z)-methyl 2-(2-((4-chlorophenyl)imino)-3-ethyl-2
CID 1528687
5-Methyl-2-(N-ethyl-p-chlorophenylamino)-2-thiazoline
CID 620033
N-(4-chlorophenyl)-N-(4,5-dihydro-4-oxo-2-thiazolyl)-beta-alanine
CID 129839704
(4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine
CID 139191962
2-[1-(4-Chloro-3-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62402398
2-[1-(4-Chloro-2-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62403817
Ethyl {[6-amino-1-(4-chlorophenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}acetate
CID 16764092
(Z)-3-(2-((4-chlorophenyl)imino)-4-methylthiazol-3(2H)-yl)propan-1-ol
CID 18581577
7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 20939084
ethyl N-(2,6-dichlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate
CID 21679612

Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate?
The IUPAC name of ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate (CID 156824360) is ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate.
What is the SMILES notation for ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate?
The canonical SMILES for ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate is CCOC(=O)/N=c1\sccn1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate?
The InChIKey is BUERJJSNPOEMGI-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-2-17-12(16)14-11-15(7-8-18-11)10-5-3-9(13)4-6-10/h3-8H,2H2,1H3/b14-11-.
What are the key properties of ethyl (NZ)-N-[3-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate?
ethyl (NZ)-N-[3-(4-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-(4-chlorophenyl)-1,3-thiazol-2-ylidene]carbamate is sourced from PubChem (CID 156824360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).