4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride

C16H14Cl2N2S2 — CID 2806580

IUPAC4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride
SMILESCl.[H]/N=c1\scc(-c2ccc(Cl)cc2)n1-c1cccc(SC)c1
InChIInChI=1S/C16H13ClN2S2.ClH/c1-20-14-4-2-3-13(9-14)19-15(10-21-16(19)18)11-5-7-12(17)8-6-11;/h2-10,18H,1H3;1H/b18-16-;
InChIKeyVDCUBVPDANDELA-FTUZMNKQSA-N
MW369.34 g/mol
LogP5.48
Rot. Bonds3

About 4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride

4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride (PubChem CID 2806580) has the molecular formula C16H14Cl2N2S2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride
PubChem CID2806580
Molecular FormulaC16H14Cl2N2S2
Molecular Weight369.34 g/mol
Exact Mass368.00
IUPAC Name4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride
SMILESCl.[H]/N=c1\scc(-c2ccc(Cl)cc2)n1-c1cccc(SC)c1
InChIInChI=1S/C16H13ClN2S2.ClH/c1-20-14-4-2-3-13(9-14)19-15(10-21-16(19)18)11-5-7-12(17)8-6-11;/h2-10,18H,1H3;1H/b18-16-;
InChIKeyVDCUBVPDANDELA-FTUZMNKQSA-N
XLogP5.48
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.34
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine
CID 2806631
4-(4-chlorophenyl)-3-(2,5-dichlorophenyl)-1,3-thiazol-2-imine
CID 2806629
3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 4658310
3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one
CID 59681844
3,4-bis(4-nitrophenyl)-1,3-thiazol-2-imine
CID 139218619
4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride
CID 13405872
CID 140650364
CID 140650364
7-chloro-1-(3-methylsulfanylphenyl)benzimidazol-2-amine
CID 43661717
5-(4-chlorophenyl)-1-methyl-2-(4-methylsulfanylphenyl)-3-thiophen-2-ylpyrrole
CID 2732824
N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide
CID 21178765
4-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-1,3-thiazol-2-amine
CID 8878280
2-(4-chlorophenyl)-1,5-diphenylpyrrole
CID 12741718

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride (CID 2806580) is 4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride is Cl.[H]/N=c1\scc(-c2ccc(Cl)cc2)n1-c1cccc(SC)c1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride?
The InChIKey is VDCUBVPDANDELA-FTUZMNKQSA-N. The full InChI is InChI=1S/C16H13ClN2S2.ClH/c1-20-14-4-2-3-13(9-14)19-15(10-21-16(19)18)11-5-7-12(17)8-6-11;/h2-10,18H,1H3;1H/b18-16-;.
What are the key properties of 4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride?
4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride has a molecular weight of 369.34 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(3-methylsulfanylphenyl)-1,3-thiazol-2-imine;hydrochloride is sourced from PubChem (CID 2806580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).