N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine

C15H21N5S — CID 129007324

IUPACN-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine
SMILESCN(Cc1csnn1)C[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C15H21N5S/c1-19(10-14-11-21-18-17-14)9-13-5-7-20(2)15(13)12-4-3-6-16-8-12/h3-4,6,8,11,13,15H,5,7,9-10H2,1-2H3/t13-,15-/m0/s1
InChIKeyONCISPYARONPQA-ZFWWWQNUSA-N
MW303.43 g/mol
LogP2.06
Rot. Bonds5

About N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine

N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 129007324) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine
PubChem CID129007324
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC NameN-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine
SMILESCN(Cc1csnn1)C[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C15H21N5S/c1-19(10-14-11-21-18-17-14)9-13-5-7-20(2)15(13)12-4-3-6-16-8-12/h3-4,6,8,11,13,15H,5,7,9-10H2,1-2H3/t13-,15-/m0/s1
InChIKeyONCISPYARONPQA-ZFWWWQNUSA-N
XLogP2.06
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine (CID 129007324) is N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine is CN(Cc1csnn1)C[C@@H]1CCN(C)[C@H]1c1cccnc1.
What is the InChIKey of N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine?
The InChIKey is ONCISPYARONPQA-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H21N5S/c1-19(10-14-11-21-18-17-14)9-13-5-7-20(2)15(13)12-4-3-6-16-8-12/h3-4,6,8,11,13,15H,5,7,9-10H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine?
N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 303.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 129007324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).