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

C17H14Cl2N2OS — CID 23882311

IUPAC4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)cc1
InChIInChI=1S/C17H14Cl2N2OS/c1-10-16(11-3-8-14(18)15(19)9-11)21-17(23-10)20-12-4-6-13(22-2)7-5-12/h3-9H,1-2H3,(H,20,21)
InChIKeyHDONEFFOIHQCPR-UHFFFAOYSA-N
MW365.29 g/mol
LogP6.18
Rot. Bonds4

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

4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 23882311) has the molecular formula C17H14Cl2N2OS and a molecular weight of 365.29 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID23882311
Molecular FormulaC17H14Cl2N2OS
Molecular Weight365.29 g/mol
Exact Mass364.02
IUPAC Name4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)cc1
InChIInChI=1S/C17H14Cl2N2OS/c1-10-16(11-3-8-14(18)15(19)9-11)21-17(23-10)20-12-4-6-13(22-2)7-5-12/h3-9H,1-2H3,(H,20,21)
InChIKeyHDONEFFOIHQCPR-UHFFFAOYSA-N
XLogP6.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 126050050
methyl 4-[[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 126050772
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 2810041
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
methyl 4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 1111716
4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 118713967
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
N-[(4-chlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 4150283
4-[(5-methyl-4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonic acid
CID 21058801
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoic acid
CID 780810
4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 26116977

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine (CID 23882311) is 4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is HDONEFFOIHQCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS/c1-10-16(11-3-8-14(18)15(19)9-11)21-17(23-10)20-12-4-6-13(22-2)7-5-12/h3-9H,1-2H3,(H,20,21).
What are the key properties of 4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 365.29 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 23882311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).