2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone

C16H17N3OS — CID 172901505

IUPAC2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(c2nccs2)C1)N1CCc2ccccc21
InChIInChI=1S/C16H17N3OS/c20-15(19-9-6-12-3-1-2-4-14(12)19)13-5-8-18(11-13)16-17-7-10-21-16/h1-4,7,10,13H,5-6,8-9,11H2
InChIKeyIQALTVDVNWHOJK-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.56
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone

2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone (PubChem CID 172901505) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
PubChem CID172901505
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(c2nccs2)C1)N1CCc2ccccc21
InChIInChI=1S/C16H17N3OS/c20-15(19-9-6-12-3-1-2-4-14(12)19)13-5-8-18(11-13)16-17-7-10-21-16/h1-4,7,10,13H,5-6,8-9,11H2
InChIKeyIQALTVDVNWHOJK-UHFFFAOYSA-N
XLogP2.56
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclohexyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 30778029
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone
CID 172891774
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902056
2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone
CID 172901641
[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172891749
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
CID 172902407
2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
CID 172901973
3-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 172891401
2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone
CID 172901325

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone (CID 172901505) is 2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone is O=C(C1CCN(c2nccs2)C1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone?
The InChIKey is IQALTVDVNWHOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-15(19-9-6-12-3-1-2-4-14(12)19)13-5-8-18(11-13)16-17-7-10-21-16/h1-4,7,10,13H,5-6,8-9,11H2.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone has a molecular weight of 299.40 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 172901505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).