2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide

C19H14N4O2S — CID 22515426

IUPAC2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide
SMILESCc1cccc(-c2nnc(NC(=O)C(=O)c3c[nH]c4ccccc34)s2)c1
InChIInChI=1S/C19H14N4O2S/c1-11-5-4-6-12(9-11)18-22-23-19(26-18)21-17(25)16(24)14-10-20-15-8-3-2-7-13(14)15/h2-10,20H,1H3,(H,21,23,25)
InChIKeyHFOVMJADEHDIIY-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.82
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide

2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide (PubChem CID 22515426) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide
PubChem CID22515426
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide
SMILESCc1cccc(-c2nnc(NC(=O)C(=O)c3c[nH]c4ccccc34)s2)c1
InChIInChI=1S/C19H14N4O2S/c1-11-5-4-6-12(9-11)18-22-23-19(26-18)21-17(25)16(24)14-10-20-15-8-3-2-7-13(14)15/h2-10,20H,1H3,(H,21,23,25)
InChIKeyHFOVMJADEHDIIY-UHFFFAOYSA-N
XLogP3.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 22515522
2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191838
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 4111551
2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 4117288
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 136697606
methyl N-[5-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065447
4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 977301
4-tert-butyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1002981
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 4191915
2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide
CID 2716307
(2R)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpropanoylamino)butanamide
CID 7493546

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide (CID 22515426) is 2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide is Cc1cccc(-c2nnc(NC(=O)C(=O)c3c[nH]c4ccccc34)s2)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide?
The InChIKey is HFOVMJADEHDIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c1-11-5-4-6-12(9-11)18-22-23-19(26-18)21-17(25)16(24)14-10-20-15-8-3-2-7-13(14)15/h2-10,20H,1H3,(H,21,23,25).
What are the key properties of 2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide?
2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide has a molecular weight of 362.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide is sourced from PubChem (CID 22515426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).