pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone

C14H15N3OS — CID 125024711

IUPACpyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CC[C@H](Cc2nccs2)C1
InChIInChI=1S/C14H15N3OS/c18-14(12-3-1-2-5-15-12)17-7-4-11(10-17)9-13-16-6-8-19-13/h1-3,5-6,8,11H,4,7,9-10H2/t11-/m1/s1
InChIKeyZHLZAAYFSTZSPK-LLVKDONJSA-N
MW273.36 g/mol
LogP2.24
Rot. Bonds3

About pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone

pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 125024711) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID125024711
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Namepyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CC[C@H](Cc2nccs2)C1
InChIInChI=1S/C14H15N3OS/c18-14(12-3-1-2-5-15-12)17-7-4-11(10-17)9-13-16-6-8-19-13/h1-3,5-6,8,11H,4,7,9-10H2/t11-/m1/s1
InChIKeyZHLZAAYFSTZSPK-LLVKDONJSA-N
XLogP2.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
(3-methyl-2-pyridinyl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245569
(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245559
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125016946
(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 125006896
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone (CID 125024711) is pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccccn1)N1CC[C@H](Cc2nccs2)C1.
What is the InChIKey of pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZHLZAAYFSTZSPK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-14(12-3-1-2-5-15-12)17-7-4-11(10-17)9-13-16-6-8-19-13/h1-3,5-6,8,11H,4,7,9-10H2/t11-/m1/s1.
What are the key properties of pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 273.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125024711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).