N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide

C20H16N4O2S — CID 11047055

IUPACN-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3cccnc3)c3ccccc23)sn1
InChIInChI=1S/C20H16N4O2S/c1-13-9-18(27-23-13)22-20(26)19(25)16-12-24(11-14-5-4-8-21-10-14)17-7-3-2-6-15(16)17/h2-10,12H,11H2,1H3,(H,22,26)
InChIKeyIXWKMQRSAWHHMV-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.67
Rot. Bonds5

About N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide

N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide (PubChem CID 11047055) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide
PubChem CID11047055
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3cccnc3)c3ccccc23)sn1
InChIInChI=1S/C20H16N4O2S/c1-13-9-18(27-23-13)22-20(26)19(25)16-12-24(11-14-5-4-8-21-10-14)17-7-3-2-6-15(16)17/h2-10,12H,11H2,1H3,(H,22,26)
InChIKeyIXWKMQRSAWHHMV-UHFFFAOYSA-N
XLogP3.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide (CID 11047055) is N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide is Cc1cc(NC(=O)C(=O)c2cn(Cc3cccnc3)c3ccccc23)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide?
The InChIKey is IXWKMQRSAWHHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-13-9-18(27-23-13)22-20(26)19(25)16-12-24(11-14-5-4-8-21-10-14)17-7-3-2-6-15(16)17/h2-10,12H,11H2,1H3,(H,22,26).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide?
N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide has a molecular weight of 376.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide is sourced from PubChem (CID 11047055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).