3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one

C12H9N3O2S — CID 1396206

IUPAC3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one
SMILESCc1ccc2c(c1)=C(c1sc(N)nc1O)C(=O)N=2
InChIInChI=1S/C12H9N3O2S/c1-5-2-3-7-6(4-5)8(10(16)14-7)9-11(17)15-12(13)18-9/h2-4,17H,1H3,(H2,13,15)
InChIKeyMJFAFVAQEWOGIG-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.10
Rot. Bonds1

About 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one

3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one (PubChem CID 1396206) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one.

Molecular Properties

Compound Name3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one
PubChem CID1396206
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one
SMILESCc1ccc2c(c1)=C(c1sc(N)nc1O)C(=O)N=2
InChIInChI=1S/C12H9N3O2S/c1-5-2-3-7-6(4-5)8(10(16)14-7)9-11(17)15-12(13)18-9/h2-4,17H,1H3,(H2,13,15)
InChIKeyMJFAFVAQEWOGIG-UHFFFAOYSA-N
XLogP0.10
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Oxo-2-piperidin-1-yl-4H-thiazol-5-ylidene)-1,3-dihydro-indol-2-one
CID 781403
5-Fluoro-3-[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one
CID 3581259
6-chloro-3-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-7-methyl-1,3-dihydro-2H-indol-2-one
CID 1219114
(3Z)-7-ethyl-3-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1221270
5-ethyl-3-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1360058
4-chloro-3-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-7-methyl-1,3-dihydro-2H-indol-2-one
CID 2168436
3-(2-Amino-4-hydroxy-1,3-thiazol-5-yl)-6-chloroindol-2-one
CID 136241022
3-[2-(Cyclohexylamino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
CID 172442425
3-[2-(Cyclopentylamino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
CID 172464590
(3Z)-5-bromo-3-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1268879
5,7-Dibromo-3-[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one
CID 1205497
Cambridge id 7107522
CID 1285299

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one?
The IUPAC name of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one (CID 1396206) is 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one.
What is the SMILES notation for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one?
The canonical SMILES for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one is Cc1ccc2c(c1)=C(c1sc(N)nc1O)C(=O)N=2.
What is the InChIKey of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one?
The InChIKey is MJFAFVAQEWOGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-5-2-3-7-6(4-5)8(10(16)14-7)9-11(17)15-12(13)18-9/h2-4,17H,1H3,(H2,13,15).
What are the key properties of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one?
3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one has a molecular weight of 259.29 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-methylindol-2-one is sourced from PubChem (CID 1396206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).