2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone

C18H22N4O2S — CID 172901973

IUPAC2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
SMILESCOCCc1nsc(N2CCC(C(=O)N3CCc4ccccc43)C2)n1
InChIInChI=1S/C18H22N4O2S/c1-24-11-8-16-19-18(25-20-16)21-9-6-14(12-21)17(23)22-10-7-13-4-2-3-5-15(13)22/h2-5,14H,6-12H2,1H3
InChIKeyNFVOGNIGUJNNBE-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.14
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone

2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone (PubChem CID 172901973) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
PubChem CID172901973
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
SMILESCOCCc1nsc(N2CCC(C(=O)N3CCc4ccccc43)C2)n1
InChIInChI=1S/C18H22N4O2S/c1-24-11-8-16-19-18(25-20-16)21-9-6-14(12-21)17(23)22-10-7-13-4-2-3-5-15(13)22/h2-5,14H,6-12H2,1H3
InChIKeyNFVOGNIGUJNNBE-UHFFFAOYSA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
CID 172901505
[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone
CID 172899870
2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol
CID 133352118
2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone
CID 172901641
2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone
CID 172891774
[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165435103
2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone
CID 172901325
N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide
CID 154803149
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902056
2,3-dihydroindol-1-yl-[1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]methanone
CID 50752682
2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
CID 172902407
N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993892

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone (CID 172901973) is 2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone is COCCc1nsc(N2CCC(C(=O)N3CCc4ccccc43)C2)n1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone?
The InChIKey is NFVOGNIGUJNNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-24-11-8-16-19-18(25-20-16)21-9-6-14(12-21)17(23)22-10-7-13-4-2-3-5-15(13)22/h2-5,14H,6-12H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone has a molecular weight of 358.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 172901973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).