3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile

C14H11N3OS — CID 116866806

IUPAC3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
SMILESN#CCCc1nc(-c2ccc3c(c2)CC(=O)N3)cs1
InChIInChI=1S/C14H11N3OS/c15-5-1-2-14-17-12(8-19-14)9-3-4-11-10(6-9)7-13(18)16-11/h3-4,6,8H,1-2,7H2,(H,16,18)
InChIKeyORMTXOILDREPLN-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.76
Rot. Bonds3

About 3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile

3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile (PubChem CID 116866806) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
PubChem CID116866806
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
SMILESN#CCCc1nc(-c2ccc3c(c2)CC(=O)N3)cs1
InChIInChI=1S/C14H11N3OS/c15-5-1-2-14-17-12(8-19-14)9-3-4-11-10(6-9)7-13(18)16-11/h3-4,6,8H,1-2,7H2,(H,16,18)
InChIKeyORMTXOILDREPLN-UHFFFAOYSA-N
XLogP2.76
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110351139
N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 110351108
5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 135570014
3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 116866782
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343328
2-methyl-N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110351164
N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9343920
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
6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 131960408

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile?
The IUPAC name of 3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile (CID 116866806) is 3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile?
The canonical SMILES for 3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile is N#CCCc1nc(-c2ccc3c(c2)CC(=O)N3)cs1.
What is the InChIKey of 3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile?
The InChIKey is ORMTXOILDREPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-5-1-2-14-17-12(8-19-14)9-3-4-11-10(6-9)7-13(18)16-11/h3-4,6,8H,1-2,7H2,(H,16,18).
What are the key properties of 3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile?
3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile has a molecular weight of 269.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile is sourced from PubChem (CID 116866806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).