(1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone

C19H17N3O3S2 — CID 67808953

IUPAC(1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone
SMILESCCS(=O)(=O)n1cc(C(=O)C2=CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C19H17N3O3S2/c1-2-27(24,25)22-11-15(14-7-3-4-8-17(14)22)18(23)16-12-26-19(21-16)13-6-5-9-20-10-13/h3-12,19,21H,2H2,1H3
InChIKeyLBYQCZIDOQILIN-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.29
Rot. Bonds5

About (1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone

(1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone (PubChem CID 67808953) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is (1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone
PubChem CID67808953
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name(1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone
SMILESCCS(=O)(=O)n1cc(C(=O)C2=CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C19H17N3O3S2/c1-2-27(24,25)22-11-15(14-7-3-4-8-17(14)22)18(23)16-12-26-19(21-16)13-6-5-9-20-10-13/h3-12,19,21H,2H2,1H3
InChIKeyLBYQCZIDOQILIN-UHFFFAOYSA-N
XLogP3.29
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone?
The IUPAC name of (1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone (CID 67808953) is (1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone is CCS(=O)(=O)n1cc(C(=O)C2=CSC(c3cccnc3)N2)c2ccccc21.
What is the InChIKey of (1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone?
The InChIKey is LBYQCZIDOQILIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c1-2-27(24,25)22-11-15(14-7-3-4-8-17(14)22)18(23)16-12-26-19(21-16)13-6-5-9-20-10-13/h3-12,19,21H,2H2,1H3.
What are the key properties of (1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone?
(1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone has a molecular weight of 399.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylindol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 67808953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).