1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone

C19H15Cl2N3O2S — CID 147714761

IUPAC1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone
SMILESCc1cc(/C=N/CC(=O)c2snc(-c3ccc(Cl)cc3Cl)c2N)ccc1O
InChIInChI=1S/C19H15Cl2N3O2S/c1-10-6-11(2-5-15(10)25)8-23-9-16(26)19-17(22)18(24-27-19)13-4-3-12(20)7-14(13)21/h2-8,25H,9,22H2,1H3/b23-8+
InChIKeyGVKHVYUUDYMLPY-LIMNOBDPSA-N
MW420.32 g/mol
LogP5.01
Rot. Bonds5

About 1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone

1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone (PubChem CID 147714761) has the molecular formula C19H15Cl2N3O2S and a molecular weight of 420.32 g/mol. Its IUPAC name is 1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone.

Molecular Properties

Compound Name1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone
PubChem CID147714761
Molecular FormulaC19H15Cl2N3O2S
Molecular Weight420.32 g/mol
Exact Mass419.03
IUPAC Name1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone
SMILESCc1cc(/C=N/CC(=O)c2snc(-c3ccc(Cl)cc3Cl)c2N)ccc1O
InChIInChI=1S/C19H15Cl2N3O2S/c1-10-6-11(2-5-15(10)25)8-23-9-16(26)19-17(22)18(24-27-19)13-4-3-12(20)7-14(13)21/h2-8,25H,9,22H2,1H3/b23-8+
InChIKeyGVKHVYUUDYMLPY-LIMNOBDPSA-N
XLogP5.01
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.32
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]ethanone
CID 158922091
3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride
CID 154099500
4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole
CID 22087237
2-methyl-4-(methyliminomethyl)phenol
CID 137125843
1-[2-(3-chloro-2-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]ethanone
CID 147899067
3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83035980
2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133087191
2,4-dichloro-6-(2,4-dichlorophenyl)aniline
CID 71372791
ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 22677283
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]ethanone
CID 161042545
2-(2,4-dichlorophenyl)-3,5-dimethylpyridine
CID 12513322

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone?
The IUPAC name of 1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone (CID 147714761) is 1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone.
What is the SMILES notation for 1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone?
The canonical SMILES for 1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone is Cc1cc(/C=N/CC(=O)c2snc(-c3ccc(Cl)cc3Cl)c2N)ccc1O.
What is the InChIKey of 1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone?
The InChIKey is GVKHVYUUDYMLPY-LIMNOBDPSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2S/c1-10-6-11(2-5-15(10)25)8-23-9-16(26)19-17(22)18(24-27-19)13-4-3-12(20)7-14(13)21/h2-8,25H,9,22H2,1H3/b23-8+.
What are the key properties of 1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone?
1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone has a molecular weight of 420.32 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]-2-[(4-hydroxy-3-methylphenyl)methylideneamino]ethanone is sourced from PubChem (CID 147714761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).