N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine

C16H24N6S — CID 129339384

IUPACN,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)ns1
InChIInChI=1S/C16H24N6S/c1-21(2)16-19-14(20-23-16)10-22-9-5-8-13(22)15-17-11-6-3-4-7-12(11)18-15/h13H,3-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyONXSOGAORRLTKQ-ZDUSSCGKSA-N
MW332.48 g/mol
LogP2.54
Rot. Bonds4

About N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine

N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 129339384) has the molecular formula C16H24N6S and a molecular weight of 332.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID129339384
Molecular FormulaC16H24N6S
Molecular Weight332.48 g/mol
Exact Mass332.18
IUPAC NameN,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)ns1
InChIInChI=1S/C16H24N6S/c1-21(2)16-19-14(20-23-16)10-22-9-5-8-13(22)15-17-11-6-3-4-7-12(11)18-15/h13H,3-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyONXSOGAORRLTKQ-ZDUSSCGKSA-N
XLogP2.54
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

2-[(2S)-1-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129342670
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129473203
5-(methoxymethyl)-3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128983425
2-ethyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 129477813
4-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiadiazole
CID 128979973
2-[(2S)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129477410
2-[(2S)-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129338470
2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129339719
2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129475107
3-(2-methoxyethyl)-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129344520
3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129477485

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 129339384) is N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine is CN(C)c1nc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)ns1.
What is the InChIKey of N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ONXSOGAORRLTKQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6S/c1-21(2)16-19-14(20-23-16)10-22-9-5-8-13(22)15-17-11-6-3-4-7-12(11)18-15/h13H,3-10H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 332.48 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 129339384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).