5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one

C10H6Cl2N2O2S — CID 137068982

IUPAC5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=N/c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C10H6Cl2N2O2S/c11-6-2-1-5(3-7(6)12)13-4-8-9(15)14-10(16)17-8/h1-4,15H,(H,14,16)/b13-4+
InChIKeyXNSZTHGDVCYPJB-YIXHJXPBSA-N
MW289.14 g/mol
LogP3.20
Rot. Bonds2

About 5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 137068982) has the molecular formula C10H6Cl2N2O2S and a molecular weight of 289.14 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID137068982
Molecular FormulaC10H6Cl2N2O2S
Molecular Weight289.14 g/mol
Exact Mass287.95
IUPAC Name5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=N/c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C10H6Cl2N2O2S/c11-6-2-1-5(3-7(6)12)13-4-8-9(15)14-10(16)17-8/h1-4,15H,(H,14,16)/b13-4+
InChIKeyXNSZTHGDVCYPJB-YIXHJXPBSA-N
XLogP3.20
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol
CID 681130
methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate
CID 137068992
N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide
CID 137068987
5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 136653551
5-(cyclopropyliminomethyl)-4-hydroxy-3H-1,3-thiazol-2-one
CID 137249127
N-(3,4-dichlorophenyl)-1-(5-nitrothiophen-2-yl)methanimine
CID 794746
1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 3629789
4-hydroxy-5-[(6-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 136647437
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548
ethyl 4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]benzoate
CID 137068988
2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 693567

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 137068982) is 5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(/C=N/c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is XNSZTHGDVCYPJB-YIXHJXPBSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2S/c11-6-2-1-5(3-7(6)12)13-4-8-9(15)14-10(16)17-8/h1-4,15H,(H,14,16)/b13-4+.
What are the key properties of 5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 289.14 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 137068982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).