[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

C16H20N4OS — CID 95845523

IUPAC[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cscn3)C2)n1
InChIInChI=1S/C16H20N4OS/c1-11-6-13(19(2)3)7-14(18-11)12-4-5-20(8-12)16(21)15-9-22-10-17-15/h6-7,9-10,12H,4-5,8H2,1-3H3/t12-/m1/s1
InChIKeyIFRXEIWIURESHZ-GFCCVEGCSA-N
MW316.43 g/mol
LogP2.54
Rot. Bonds3

About [(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 95845523) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is [(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID95845523
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cscn3)C2)n1
InChIInChI=1S/C16H20N4OS/c1-11-6-13(19(2)3)7-14(18-11)12-4-5-20(8-12)16(21)15-9-22-10-17-15/h6-7,9-10,12H,4-5,8H2,1-3H3/t12-/m1/s1
InChIKeyIFRXEIWIURESHZ-GFCCVEGCSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 124986912
2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136816696
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125027185
5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 124963837
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 175658969
[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 124993779
[4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95828652
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110105995
[(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824375
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 110105993
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 95845523) is [(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cscn3)C2)n1.
What is the InChIKey of [(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is IFRXEIWIURESHZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11-6-13(19(2)3)7-14(18-11)12-4-5-20(8-12)16(21)15-9-22-10-17-15/h6-7,9-10,12H,4-5,8H2,1-3H3/t12-/m1/s1.
What are the key properties of [(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 316.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95845523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).