3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one

C18H11ClN2O3S — CID 4270830

IUPAC3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=O)n(Cc2ccccc2Cl)c1O
InChIInChI=1S/C18H11ClN2O3S/c19-12-7-3-1-5-10(12)9-21-17(23)15(25-18(21)24)14-11-6-2-4-8-13(11)20-16(14)22/h1-8,23H,9H2
InChIKeyDXRMXHJJJXBFNP-UHFFFAOYSA-N
MW370.82 g/mol
LogP1.68
Rot. Bonds3

About 3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one

3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one (PubChem CID 4270830) has the molecular formula C18H11ClN2O3S and a molecular weight of 370.82 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
PubChem CID4270830
Molecular FormulaC18H11ClN2O3S
Molecular Weight370.82 g/mol
Exact Mass370.02
IUPAC Name3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=O)n(Cc2ccccc2Cl)c1O
InChIInChI=1S/C18H11ClN2O3S/c19-12-7-3-1-5-10(12)9-21-17(23)15(25-18(21)24)14-11-6-2-4-8-13(11)20-16(14)22/h1-8,23H,9H2
InChIKeyDXRMXHJJJXBFNP-UHFFFAOYSA-N
XLogP1.68
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
CID 137131441
3-[3-(2-chlorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 1287047
N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide
CID 137140854
3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 4515352
3-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]propanal
CID 169445189
2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanesulfonic acid
CID 4515349
3-(3-benzyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-chloroindol-2-one
CID 1360153
3-[3-(2-ethylhexyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 3817901
(NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 135411349
3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-5-methylindol-2-one
CID 1271404
1-[(2-chlorophenyl)methyl]-4-hydroxyquinolin-2-one
CID 54679720
3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 3615060

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one (CID 4270830) is 3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one is O=C1N=c2ccccc2=C1c1sc(=O)n(Cc2ccccc2Cl)c1O.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The InChIKey is DXRMXHJJJXBFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O3S/c19-12-7-3-1-5-10(12)9-21-17(23)15(25-18(21)24)14-11-6-2-4-8-13(11)20-16(14)22/h1-8,23H,9H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one has a molecular weight of 370.82 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one is sourced from PubChem (CID 4270830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).