3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole

C16H23N5S — CID 129475610

IUPAC3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)n1
InChIInChI=1S/C16H23N5S/c1-3-14-18-16(22-19-14)21-10-6-9-13(21)15-17-11-7-4-5-8-12(11)20(15)2/h13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyOYSBTHXTKXWLQW-ZDUSSCGKSA-N
MW317.46 g/mol
LogP3.05
Rot. Bonds3

About 3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole

3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole (PubChem CID 129475610) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole
PubChem CID129475610
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)n1
InChIInChI=1S/C16H23N5S/c1-3-14-18-16(22-19-14)21-10-6-9-13(21)15-17-11-7-4-5-8-12(11)20(15)2/h13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyOYSBTHXTKXWLQW-ZDUSSCGKSA-N
XLogP3.05
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]benzonitrile
CID 129476692
2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 129333984
2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 129476738
3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 133428859
2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 128978977
N-methyl-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N-propylpyrrolidine-1-sulfonamide
CID 102554212
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 128978251
(3S)-3-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 129336404
2-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 128981084
2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 129475472
1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 128978946
3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine
CID 65277768

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole (CID 129475610) is 3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)n1.
What is the InChIKey of 3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is OYSBTHXTKXWLQW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5S/c1-3-14-18-16(22-19-14)21-10-6-9-13(21)15-17-11-7-4-5-8-12(11)20(15)2/h13H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 317.46 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 129475610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).