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

C17H14Cl2N2O2S — CID 58496015

IUPACN-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(-c2csc(Nc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C17H14Cl2N2O2S/c1-22-11-4-6-16(23-2)12(8-11)15-9-24-17(21-15)20-14-5-3-10(18)7-13(14)19/h3-9H,1-2H3,(H,20,21)
InChIKeyXMFCXQWHNHCXIR-UHFFFAOYSA-N
MW381.28 g/mol
LogP5.88
Rot. Bonds5

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

N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 58496015) has the molecular formula C17H14Cl2N2O2S and a molecular weight of 381.28 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID58496015
Molecular FormulaC17H14Cl2N2O2S
Molecular Weight381.28 g/mol
Exact Mass380.02
IUPAC NameN-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(-c2csc(Nc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C17H14Cl2N2O2S/c1-22-11-4-6-16(23-2)12(8-11)15-9-24-17(21-15)20-14-5-3-10(18)7-13(14)19/h3-9H,1-2H3,(H,20,21)
InChIKeyXMFCXQWHNHCXIR-UHFFFAOYSA-N
XLogP5.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.28
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine
CID 58910662
4-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)-1,3-thiazol-2-amine
CID 101224288
4-(2,5-dimethoxyphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 8962407
2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide
CID 2114849
6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
CID 55628624
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
N-(2,5-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 23973673
5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 24608242
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
4-(3-chlorophenyl)-N-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 53338316

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine (CID 58496015) is N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(OC)c(-c2csc(Nc3ccc(Cl)cc3Cl)n2)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is XMFCXQWHNHCXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2S/c1-22-11-4-6-16(23-2)12(8-11)15-9-24-17(21-15)20-14-5-3-10(18)7-13(14)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine?
N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 381.28 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58496015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).