4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine

C17H15ClN2S — CID 693919

IUPAC4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H15ClN2S/c1-2-20-16(13-8-10-14(18)11-9-13)12-21-17(20)19-15-6-4-3-5-7-15/h3-12H,2H2,1H3/b19-17-
InChIKeyDIKQXCVHGTUWMD-ZPHPHTNESA-N
MW314.84 g/mol
LogP5.12
Rot. Bonds3

About 4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine

4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine (PubChem CID 693919) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine
PubChem CID693919
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC Name4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H15ClN2S/c1-2-20-16(13-8-10-14(18)11-9-13)12-21-17(20)19-15-6-4-3-5-7-15/h3-12H,2H2,1H3/b19-17-
InChIKeyDIKQXCVHGTUWMD-ZPHPHTNESA-N
XLogP5.12
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.84
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

3-(4-Chloro-phenyl)-5,6-dihydro-imidazo[2,1-b]thiazole
CID 73224
3-(4-Chlorophenyl)-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 23723163
4-(4-Chlorophenyl)-3-(2-fluorophenyl)-1,3-thiazol-2(3H)-imine
CID 625297
7H-Imidazo(2,1-b)thiazol-1-ium, 5,6-dihydro-3-(p-chlorophenyl)-, bromide
CID 73223
Diethyl{2-[4-phenyl-2-(phenylazamethylene)(1,3-thiazolin-3-yl)]ethyl}amine
CID 1537448
4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine
CID 155562852
4-[[4-(4-Chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 156012141
3-[(2Z)-2-[(4-chlorophenyl)imino]-4-(4-fluorophenyl)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 1821636
5-(4-chlorophenyl)-3-methyl-N-phenyl-1,3,4-thiadiazol-2-imine
CID 10685727
N-(2-(3-Benzylthiazolidylidene))aniline
CID 115915
{3-[4-(4-Chlorophenyl)-2-(phenylazamethylene)(1,3-thiazolin-3-yl)]propyl}dimet hylamine
CID 1279760
2-[(2Z)-2-[(3-Chlorophenyl)imino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazol-3-YL]ethan-1-OL
CID 4078267

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine (CID 693919) is 4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine is CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is DIKQXCVHGTUWMD-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15ClN2S/c1-2-20-16(13-8-10-14(18)11-9-13)12-21-17(20)19-15-6-4-3-5-7-15/h3-12H,2H2,1H3/b19-17-.
What are the key properties of 4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine?
4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 314.84 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-ethyl-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 693919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).