[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone

C19H16N2O2S — CID 53179842

IUPAC[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21
InChIInChI=1S/C19H16N2O2S/c22-19(15-6-8-23-10-15)21-7-5-14-9-13(3-4-17(14)21)16-11-24-18(20-16)12-1-2-12/h3-4,6,8-12H,1-2,5,7H2
InChIKeyQBNJSDAXOPYWIH-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.48
Rot. Bonds3

About [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone

[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone (PubChem CID 53179842) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone
PubChem CID53179842
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21
InChIInChI=1S/C19H16N2O2S/c22-19(15-6-8-23-10-15)21-7-5-14-9-13(3-4-17(14)21)16-11-24-18(20-16)12-1-2-12/h3-4,6,8-12H,1-2,5,7H2
InChIKeyQBNJSDAXOPYWIH-UHFFFAOYSA-N
XLogP4.48
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone (CID 53179842) is [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21.
What is the InChIKey of [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone?
The InChIKey is QBNJSDAXOPYWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-19(15-6-8-23-10-15)21-7-5-14-9-13(3-4-17(14)21)16-11-24-18(20-16)12-1-2-12/h3-4,6,8-12H,1-2,5,7H2.
What are the key properties of [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone?
[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone has a molecular weight of 336.42 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 53179842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).