4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine

C17H14Cl2N2S — CID 126050050

IUPAC4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)cc1
InChIInChI=1S/C17H14Cl2N2S/c1-10-3-6-13(7-4-10)20-17-21-16(11(2)22-17)12-5-8-14(18)15(19)9-12/h3-9H,1-2H3,(H,20,21)
InChIKeySGNQFARWWORPOS-UHFFFAOYSA-N
MW349.29 g/mol
LogP6.48
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine

4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 126050050) has the molecular formula C17H14Cl2N2S and a molecular weight of 349.29 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID126050050
Molecular FormulaC17H14Cl2N2S
Molecular Weight349.29 g/mol
Exact Mass348.03
IUPAC Name4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)cc1
InChIInChI=1S/C17H14Cl2N2S/c1-10-3-6-13(7-4-10)20-17-21-16(11(2)22-17)12-5-8-14(18)15(19)9-12/h3-9H,1-2H3,(H,20,21)
InChIKeySGNQFARWWORPOS-UHFFFAOYSA-N
XLogP6.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.29
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 23882311
methyl 4-[[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 126050772
N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126054464
N-(3,5-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055578
N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 53338366
4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 118713967
N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126047012
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoic acid
CID 780810
N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 53387374
4-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 53387372
4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2276030
methyl 4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 1111716

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine (CID 126050050) is 4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is SGNQFARWWORPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2S/c1-10-3-6-13(7-4-10)20-17-21-16(11(2)22-17)12-5-8-14(18)15(19)9-12/h3-9H,1-2H3,(H,20,21).
What are the key properties of 4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine?
4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 349.29 g/mol, XLogP of 6.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 126050050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).