1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one

C16H17N3O2S — CID 17467764

IUPAC1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3csc(N4CCOCC4)n3)ccc21
InChIInChI=1S/C16H17N3O2S/c1-18-14-3-2-11(8-12(14)9-15(18)20)13-10-22-16(17-13)19-4-6-21-7-5-19/h2-3,8,10H,4-7,9H2,1H3
InChIKeyQCOVNFKZYMZBKW-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.17
Rot. Bonds2

About 1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one

1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one (PubChem CID 17467764) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one
PubChem CID17467764
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3csc(N4CCOCC4)n3)ccc21
InChIInChI=1S/C16H17N3O2S/c1-18-14-3-2-11(8-12(14)9-15(18)20)13-10-22-16(17-13)19-4-6-21-7-5-19/h2-3,8,10H,4-7,9H2,1H3
InChIKeyQCOVNFKZYMZBKW-UHFFFAOYSA-N
XLogP2.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one (CID 17467764) is 1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one is CN1C(=O)Cc2cc(-c3csc(N4CCOCC4)n3)ccc21.
What is the InChIKey of 1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one?
The InChIKey is QCOVNFKZYMZBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-18-14-3-2-11(8-12(14)9-15(18)20)13-10-22-16(17-13)19-4-6-21-7-5-19/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one?
1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one has a molecular weight of 315.40 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one is sourced from PubChem (CID 17467764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).