[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

C16H17N5OS — CID 124592970

IUPAC[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESCCn1c([C@H]2CCCN2C(=O)c2cnsn2)nc2ccccc21
InChIInChI=1S/C16H17N5OS/c1-2-20-13-7-4-3-6-11(13)18-15(20)14-8-5-9-21(14)16(22)12-10-17-23-19-12/h3-4,6-7,10,14H,2,5,8-9H2,1H3/t14-/m1/s1
InChIKeyRSYNNLWSENEAIA-CQSZACIVSA-N
MW327.41 g/mol
LogP2.88
Rot. Bonds3

About [(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 124592970) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is [(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID124592970
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESCCn1c([C@H]2CCCN2C(=O)c2cnsn2)nc2ccccc21
InChIInChI=1S/C16H17N5OS/c1-2-20-13-7-4-3-6-11(13)18-15(20)14-8-5-9-21(14)16(22)12-10-17-23-19-12/h3-4,6-7,10,14H,2,5,8-9H2,1H3/t14-/m1/s1
InChIKeyRSYNNLWSENEAIA-CQSZACIVSA-N
XLogP2.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 52851870
5-[(2S)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124684072
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119872644
4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 95278101
(4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 60620906
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 120799598
2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119872625
1-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 53003193
[(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91639137
6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 133429827

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 124592970) is [(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is CCn1c([C@H]2CCCN2C(=O)c2cnsn2)nc2ccccc21.
What is the InChIKey of [(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is RSYNNLWSENEAIA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-2-20-13-7-4-3-6-11(13)18-15(20)14-8-5-9-21(14)16(22)12-10-17-23-19-12/h3-4,6-7,10,14H,2,5,8-9H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 327.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 124592970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).