N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine

C15H21N5OS — CID 95137123

IUPACN-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCCOc1nnc(CN2CC[C@H](CNc3ccccn3)C2)s1
InChIInChI=1S/C15H21N5OS/c1-2-21-15-19-18-14(22-15)11-20-8-6-12(10-20)9-17-13-5-3-4-7-16-13/h3-5,7,12H,2,6,8-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyIQLGSTOTMDXJRU-GFCCVEGCSA-N
MW319.43 g/mol
LogP2.27
Rot. Bonds7

About N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine

N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 95137123) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID95137123
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCCOc1nnc(CN2CC[C@H](CNc3ccccn3)C2)s1
InChIInChI=1S/C15H21N5OS/c1-2-21-15-19-18-14(22-15)11-20-8-6-12(10-20)9-17-13-5-3-4-7-16-13/h3-5,7,12H,2,6,8-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyIQLGSTOTMDXJRU-GFCCVEGCSA-N
XLogP2.27
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 95137123) is N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine is CCOc1nnc(CN2CC[C@H](CNc3ccccn3)C2)s1.
What is the InChIKey of N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is IQLGSTOTMDXJRU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-2-21-15-19-18-14(22-15)11-20-8-6-12(10-20)9-17-13-5-3-4-7-16-13/h3-5,7,12H,2,6,8-11H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 319.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 95137123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).