acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one

C14H14N2O3S — CID 162316573

IUPACacetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
SMILESCC(=O)O.Cc1nc(-c2ccc3c(c2)CC(=O)N3)cs1
InChIInChI=1S/C12H10N2OS.C2H4O2/c1-7-13-11(6-16-7)8-2-3-10-9(4-8)5-12(15)14-10;1-2(3)4/h2-4,6H,5H2,1H3,(H,14,15);1H3,(H,3,4)
InChIKeyVABQPDHLZJFHIL-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.70
Rot. Bonds1

About acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one

acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one (PubChem CID 162316573) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Nameacetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
PubChem CID162316573
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Nameacetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
SMILESCC(=O)O.Cc1nc(-c2ccc3c(c2)CC(=O)N3)cs1
InChIInChI=1S/C12H10N2OS.C2H4O2/c1-7-13-11(6-16-7)8-2-3-10-9(4-8)5-12(15)14-10;1-2(3)4/h2-4,6H,5H2,1H3,(H,14,15);1H3,(H,3,4)
InChIKeyVABQPDHLZJFHIL-UHFFFAOYSA-N
XLogP2.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 135570014
5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343328
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355
N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 110351108
N-[3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565422
5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343622
5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343382
5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroisoindole-2-carboxylic acid
CID 91410009
N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9343920
3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
CID 116866806
2-chloro-N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110351139
2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-carboxamide
CID 108797869

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one (CID 162316573) is acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one is CC(=O)O.Cc1nc(-c2ccc3c(c2)CC(=O)N3)cs1.
What is the InChIKey of acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is VABQPDHLZJFHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS.C2H4O2/c1-7-13-11(6-16-7)8-2-3-10-9(4-8)5-12(15)14-10;1-2(3)4/h2-4,6H,5H2,1H3,(H,14,15);1H3,(H,3,4).
What are the key properties of acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one?
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 290.34 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 162316573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).