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

C19H16N2O2S — CID 53179846

IUPAC[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21
InChIInChI=1S/C19H16N2O2S/c22-19(17-2-1-9-23-17)21-8-7-14-10-13(5-6-16(14)21)15-11-24-18(20-15)12-3-4-12/h1-2,5-6,9-12H,3-4,7-8H2
InChIKeyRNKIUMWZKYCZOD-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-2-yl)methanone

[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-2-yl)methanone (PubChem CID 53179846) 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-2-yl)methanone.

Molecular Properties

Compound Name[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-2-yl)methanone
PubChem CID53179846
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-2-yl)methanone
SMILESO=C(c1ccco1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21
InChIInChI=1S/C19H16N2O2S/c22-19(17-2-1-9-23-17)21-8-7-14-10-13(5-6-16(14)21)15-11-24-18(20-15)12-3-4-12/h1-2,5-6,9-12H,3-4,7-8H2
InChIKeyRNKIUMWZKYCZOD-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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Related Compounds

[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone
CID 53179842
(2-chloro-4-pyridinyl)-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 53179854
1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone
CID 53179857
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 24761960
[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 55448155
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 119035720
N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1383858
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
[5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
CID 1450282
[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53037742
1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 53179833
[2-[(4-chlorophenyl)methoxy]phenyl]-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 122177129

Frequently Asked Questions

What is the IUPAC name of [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-2-yl)methanone (CID 53179846) is [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21.
What is the InChIKey of [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-2-yl)methanone?
The InChIKey is RNKIUMWZKYCZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-19(17-2-1-9-23-17)21-8-7-14-10-13(5-6-16(14)21)15-11-24-18(20-15)12-3-4-12/h1-2,5-6,9-12H,3-4,7-8H2.
What are the key properties of [5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-2-yl)methanone?
[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-2-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-2-yl)methanone is sourced from PubChem (CID 53179846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).