N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide

C16H18N4O2S — CID 95127060

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCCc1nnc(CNC(=O)C[C@@H]2C(=O)Nc3ccc(C)cc32)s1
InChIInChI=1S/C16H18N4O2S/c1-3-14-19-20-15(23-14)8-17-13(21)7-11-10-6-9(2)4-5-12(10)18-16(11)22/h4-6,11H,3,7-8H2,1-2H3,(H,17,21)(H,18,22)/t11-/m0/s1
InChIKeyDINIYTCNLFPGKJ-NSHDSACASA-N
MW330.41 g/mol
LogP2.15
Rot. Bonds5

About N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide (PubChem CID 95127060) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide
PubChem CID95127060
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCCc1nnc(CNC(=O)C[C@@H]2C(=O)Nc3ccc(C)cc32)s1
InChIInChI=1S/C16H18N4O2S/c1-3-14-19-20-15(23-14)8-17-13(21)7-11-10-6-9(2)4-5-12(10)18-16(11)22/h4-6,11H,3,7-8H2,1-2H3,(H,17,21)(H,18,22)/t11-/m0/s1
InChIKeyDINIYTCNLFPGKJ-NSHDSACASA-N
XLogP2.15
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide (CID 95127060) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide is CCc1nnc(CNC(=O)C[C@@H]2C(=O)Nc3ccc(C)cc32)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The InChIKey is DINIYTCNLFPGKJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-3-14-19-20-15(23-14)8-17-13(21)7-11-10-6-9(2)4-5-12(10)18-16(11)22/h4-6,11H,3,7-8H2,1-2H3,(H,17,21)(H,18,22)/t11-/m0/s1.
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide is sourced from PubChem (CID 95127060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).