[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone

C14H16N4OS — CID 124948233

IUPAC[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCNc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1
InChIInChI=1S/C14H16N4OS/c1-15-13-7-10(4-5-17-13)11-3-2-6-18(11)14(19)12-8-16-9-20-12/h4-5,7-9,11H,2-3,6H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyCLPAFZJXMJRYBI-LLVKDONJSA-N
MW288.38 g/mol
LogP2.56
Rot. Bonds3

About [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone

[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 124948233) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID124948233
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCNc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1
InChIInChI=1S/C14H16N4OS/c1-15-13-7-10(4-5-17-13)11-3-2-6-18(11)14(19)12-8-16-9-20-12/h4-5,7-9,11H,2-3,6H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyCLPAFZJXMJRYBI-LLVKDONJSA-N
XLogP2.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124989627
N-methyl-4-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridin-2-amine
CID 124964991
3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110105582
2-cyclopentyl-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 127246703
(6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 110105665
3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 118741479
(2-ethoxy-3-pyridinyl)-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125016079
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 124995807
(4-chloro-1-propylpyrazol-3-yl)-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125012953
3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 125007181
2-(benzotriazol-2-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110105592

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 124948233) is [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone is CNc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1.
What is the InChIKey of [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is CLPAFZJXMJRYBI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-15-13-7-10(4-5-17-13)11-3-2-6-18(11)14(19)12-8-16-9-20-12/h4-5,7-9,11H,2-3,6H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 288.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124948233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).