1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine

C26H18Cl4N4S2 — CID 11296283

IUPAC1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine
SMILESCc1sc(Nc2cccc(Nc3nc(-c4ccc(Cl)cc4Cl)c(C)s3)c2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C26H18Cl4N4S2/c1-13-23(19-8-6-15(27)10-21(19)29)33-25(35-13)31-17-4-3-5-18(12-17)32-26-34-24(14(2)36-26)20-9-7-16(28)11-22(20)30/h3-12H,1-2H3,(H,31,33)(H,32,34)
InChIKeyROLVDZIRHOCRBZ-UHFFFAOYSA-N
MW592.40 g/mol
LogP10.65
Rot. Bonds6

About 1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine

1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine (PubChem CID 11296283) has the molecular formula C26H18Cl4N4S2 and a molecular weight of 592.40 g/mol. Its IUPAC name is 1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine
PubChem CID11296283
Molecular FormulaC26H18Cl4N4S2
Molecular Weight592.40 g/mol
Exact Mass589.97
IUPAC Name1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine
SMILESCc1sc(Nc2cccc(Nc3nc(-c4ccc(Cl)cc4Cl)c(C)s3)c2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C26H18Cl4N4S2/c1-13-23(19-8-6-15(27)10-21(19)29)33-25(35-13)31-17-4-3-5-18(12-17)32-26-34-24(14(2)36-26)20-9-7-16(28)11-22(20)30/h3-12H,1-2H3,(H,31,33)(H,32,34)
InChIKeyROLVDZIRHOCRBZ-UHFFFAOYSA-N
XLogP10.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.40
LogP ≤ 510.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126050335
N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126047012
N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055034
2-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17377181
N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126048866
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 126050050
N-(3,5-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055578
4-(2,4-dichlorophenyl)-5-ethyl-1,3-thiazol-2-amine
CID 28864557
dimethyl 4-[3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 21296596
4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 31264902
4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 118713967

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine (CID 11296283) is 1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine is Cc1sc(Nc2cccc(Nc3nc(-c4ccc(Cl)cc4Cl)c(C)s3)c2)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine?
The InChIKey is ROLVDZIRHOCRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl4N4S2/c1-13-23(19-8-6-15(27)10-21(19)29)33-25(35-13)31-17-4-3-5-18(12-17)32-26-34-24(14(2)36-26)20-9-7-16(28)11-22(20)30/h3-12H,1-2H3,(H,31,33)(H,32,34).
What are the key properties of 1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine?
1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine has a molecular weight of 592.40 g/mol, XLogP of 10.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine is sourced from PubChem (CID 11296283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).