2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol

C14H10Cl2N2O3S — CID 134106967

IUPAC2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol
SMILESO=S1(=O)C=C(O)N(c2ccccn2)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3S/c15-9-4-5-10(11(16)7-9)14-18(12-3-1-2-6-17-12)13(19)8-22(14,20)21/h1-8,14,19H
InChIKeyBMALCCHXNVCKCD-UHFFFAOYSA-N
MW357.22 g/mol
LogP3.68
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol

2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol (PubChem CID 134106967) has the molecular formula C14H10Cl2N2O3S and a molecular weight of 357.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol
PubChem CID134106967
Molecular FormulaC14H10Cl2N2O3S
Molecular Weight357.22 g/mol
Exact Mass355.98
IUPAC Name2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol
SMILESO=S1(=O)C=C(O)N(c2ccccn2)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3S/c15-9-4-5-10(11(16)7-9)14-18(12-3-1-2-6-17-12)13(19)8-22(14,20)21/h1-8,14,19H
InChIKeyBMALCCHXNVCKCD-UHFFFAOYSA-N
XLogP3.68
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 6614127
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CID 4502518
4-chloro-2-(1-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
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(5S)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenyl-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 1106616
6-chloro-1-pyridin-2-yl-3H-indol-2-one
CID 132570702
(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 5436661
6-chloro-3-[1-(3-chlorophenyl)buta-1,3-dien-2-yl]-2-pyridin-2-yl-1H-isoquinoline-1-carbaldehyde
CID 175120722
(5S)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-5-(3-chlorophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 1288431
1,2-dichlorobenzene;1,2,4-trichlorobenzene
CID 161216251
N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide
CID 121377101
9-chloro-5-pyridin-2-ylphenanthridin-6-one
CID 154707535
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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol (CID 134106967) is 2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol is O=S1(=O)C=C(O)N(c2ccccn2)C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol?
The InChIKey is BMALCCHXNVCKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3S/c15-9-4-5-10(11(16)7-9)14-18(12-3-1-2-6-17-12)13(19)8-22(14,20)21/h1-8,14,19H.
What are the key properties of 2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol?
2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol has a molecular weight of 357.22 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1,1-dioxo-3-pyridin-2-yl-2H-1,3-thiazol-4-ol is sourced from PubChem (CID 134106967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).