1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone

C22H19N3O2S — CID 2420278

IUPAC1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1sc(N2CCOCC2)nc1-c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H19N3O2S/c26-20(17-14-23-18-9-5-4-8-16(17)18)21-19(15-6-2-1-3-7-15)24-22(28-21)25-10-12-27-13-11-25/h1-9,14,23H,10-13H2
InChIKeyOYKCSXNASJVSIV-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.36
Rot. Bonds4

About 1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone

1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone (PubChem CID 2420278) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone
PubChem CID2420278
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1sc(N2CCOCC2)nc1-c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H19N3O2S/c26-20(17-14-23-18-9-5-4-8-16(17)18)21-19(15-6-2-1-3-7-15)24-22(28-21)25-10-12-27-13-11-25/h1-9,14,23H,10-13H2
InChIKeyOYKCSXNASJVSIV-UHFFFAOYSA-N
XLogP4.36
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of 1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone (CID 2420278) is 1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for 1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone is O=C(c1sc(N2CCOCC2)nc1-c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone?
The InChIKey is OYKCSXNASJVSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-20(17-14-23-18-9-5-4-8-16(17)18)21-19(15-6-2-1-3-7-15)24-22(28-21)25-10-12-27-13-11-25/h1-9,14,23H,10-13H2.
What are the key properties of 1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone?
1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 389.48 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 2420278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).