4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine

C23H26Cl2N2S — CID 4174745

IUPAC4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccccc1/N=c1\scc(-c2ccc(Cl)cc2Cl)n1C(C)CCC(C)C
InChIInChI=1S/C23H26Cl2N2S/c1-15(2)9-10-17(4)27-22(19-12-11-18(24)13-20(19)25)14-28-23(27)26-21-8-6-5-7-16(21)3/h5-8,11-15,17H,9-10H2,1-4H3/b26-23-
InChIKeyLRMUXOFKCSVCFN-RWEWTDSWSA-N
MW433.45 g/mol
LogP8.06
Rot. Bonds6

About 4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine

4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 4174745) has the molecular formula C23H26Cl2N2S and a molecular weight of 433.45 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine
PubChem CID4174745
Molecular FormulaC23H26Cl2N2S
Molecular Weight433.45 g/mol
Exact Mass432.12
IUPAC Name4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccccc1/N=c1\scc(-c2ccc(Cl)cc2Cl)n1C(C)CCC(C)C
InChIInChI=1S/C23H26Cl2N2S/c1-15(2)9-10-17(4)27-22(19-12-11-18(24)13-20(19)25)14-28-23(27)26-21-8-6-5-7-16(21)3/h5-8,11-15,17H,9-10H2,1-4H3/b26-23-
InChIKeyLRMUXOFKCSVCFN-RWEWTDSWSA-N
XLogP8.06
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.45
LogP ≤ 58.06
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

4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine
CID 155562852
{3-[4-(4-Chlorophenyl)-2-(phenylazamethylene)(1,3-thiazolin-3-yl)]propyl}dimet hylamine
CID 1279760
2-[(4-Chlorophenyl)azamethylene]-5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazolin e
CID 4478571
(Z)-N-(3-allyl-4-(4-chlorophenyl)thiazol-2(3H)-ylidene)-4-((Z)-phenyldiazenyl)aniline
CID 5206699
5-(4-chlorophenyl)-7-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 162649459
(Z)-4-(4-Chlorophenyl)-3-ethyl-N-phenylthiazol-2(3H)-imine
CID 693919
N-(4-(4-Chlorophenyl)-3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene)aniline
CID 1909135
N-(4-(4-Chlorophenyl)-3-(2-phenylethyl)-1,3-thiazol-2(3H)-ylidene)aniline
CID 1909538
N-(4-(4-Chlorophenyl)-3-pentyl-1,3-thiazol-2(3H)-ylidene)aniline
CID 3502339
N-(4-(4-chlorophenyl)-3-(4-methyl-1-piperazinyl)-1,3-thiazol-2(3H)-ylidene)-N-phenylamine
CID 1237073
(Z)-N-(3-butyl-4-(2,4-dichlorophenyl)thiazol-2(3H)-ylidene)aniline
CID 2131714
1-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-4,4,6-trimethylpyrimidine
CID 2730551

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine (CID 4174745) is 4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine is Cc1ccccc1/N=c1\scc(-c2ccc(Cl)cc2Cl)n1C(C)CCC(C)C.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is LRMUXOFKCSVCFN-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H26Cl2N2S/c1-15(2)9-10-17(4)27-22(19-12-11-18(24)13-20(19)25)14-28-23(27)26-21-8-6-5-7-16(21)3/h5-8,11-15,17H,9-10H2,1-4H3/b26-23-.
What are the key properties of 4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine?
4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 433.45 g/mol, XLogP of 8.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 4174745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).