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

C24H20Cl2N2OS — CID 118712410

IUPAC5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccc(Cl)cc3Cl)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C24H20Cl2N2OS/c1-29-19-10-7-17(8-11-19)15-27-24-28-23(20-12-9-18(25)14-21(20)26)22(30-24)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3,(H,27,28)
InChIKeyQXOHEZRLLDAAFY-UHFFFAOYSA-N
MW455.41 g/mol
LogP7.33
Rot. Bonds7

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

5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 118712410) has the molecular formula C24H20Cl2N2OS and a molecular weight of 455.41 g/mol. Its IUPAC name is 5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID118712410
Molecular FormulaC24H20Cl2N2OS
Molecular Weight455.41 g/mol
Exact Mass454.07
IUPAC Name5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccc(Cl)cc3Cl)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C24H20Cl2N2OS/c1-29-19-10-7-17(8-11-19)15-27-24-28-23(20-12-9-18(25)14-21(20)26)22(30-24)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3,(H,27,28)
InChIKeyQXOHEZRLLDAAFY-UHFFFAOYSA-N
XLogP7.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.41
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylguanidine
CID 9999107
(5-{[(4-Methoxy-benzyl)-propyl-amino]-methyl}-4-trifluoromethyl-thiazol-2-yl)-(2,4,6-trichloro-phenyl)-amine
CID 10165732
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-propan-2-ylguanidine
CID 10318585
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine
CID 10429998
5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706125
5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706187
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-thiazol-2-amine
CID 72706311
N,5-dibenzyl-4-(4-methoxyphenyl)thiazol-2-amine
CID 72706819
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]thiazol-2-amine
CID 72706878
5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)thiazol-2-amine
CID 72706881
5-benzyl-4-(4-methoxyphenyl)-N-(2-naphthylmethyl)thiazol-2-amine
CID 72706938

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 118712410) is 5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1ccc(CNc2nc(-c3ccc(Cl)cc3Cl)c(Cc3ccccc3)s2)cc1.
What is the InChIKey of 5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is QXOHEZRLLDAAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2OS/c1-29-19-10-7-17(8-11-19)15-27-24-28-23(20-12-9-18(25)14-21(20)26)22(30-24)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3,(H,27,28).
What are the key properties of 5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 455.41 g/mol, XLogP of 7.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118712410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).