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

C17H13Cl3N2O2S — CID 58910662

IUPAC4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cc(Cl)c(Cl)cc3Cl)n2)c(OC)c1
InChIInChI=1S/C17H13Cl3N2O2S/c1-23-9-3-4-10(16(5-9)24-2)15-8-25-17(22-15)21-14-7-12(19)11(18)6-13(14)20/h3-8H,1-2H3,(H,21,22)
InChIKeyHCUHQHNEJMDMTI-UHFFFAOYSA-N
MW415.73 g/mol
LogP6.53
Rot. Bonds5

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

4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 58910662) has the molecular formula C17H13Cl3N2O2S and a molecular weight of 415.73 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine
PubChem CID58910662
Molecular FormulaC17H13Cl3N2O2S
Molecular Weight415.73 g/mol
Exact Mass413.98
IUPAC Name4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cc(Cl)c(Cl)cc3Cl)n2)c(OC)c1
InChIInChI=1S/C17H13Cl3N2O2S/c1-23-9-3-4-10(16(5-9)24-2)15-8-25-17(22-15)21-14-7-12(19)11(18)6-13(14)20/h3-8H,1-2H3,(H,21,22)
InChIKeyHCUHQHNEJMDMTI-UHFFFAOYSA-N
XLogP6.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.73
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 7954962
N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58496015
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine
CID 7513120
4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 25342683
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58911134
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962184
2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 150886368
4-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)-1,3-thiazol-2-amine
CID 101224288
[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]azanide
CID 161351760
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
N-(2,5-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 23973673
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
CID 92551611

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine (CID 58910662) is 4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3cc(Cl)c(Cl)cc3Cl)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is HCUHQHNEJMDMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O2S/c1-23-9-3-4-10(16(5-9)24-2)15-8-25-17(22-15)21-14-7-12(19)11(18)6-13(14)20/h3-8H,1-2H3,(H,21,22).
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine?
4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 415.73 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58910662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).