[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone

C20H20N4OS — CID 124588883

IUPAC[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(-c3ncccn3)n2)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H20N4OS/c1-20(2)13-24(11-15(20)14-7-4-3-5-8-14)19(25)16-12-26-18(23-16)17-21-9-6-10-22-17/h3-10,12,15H,11,13H2,1-2H3/t15-/m1/s1
InChIKeyCZQNYFJKPGVERA-OAHLLOKOSA-N
MW364.47 g/mol
LogP3.87
Rot. Bonds3

About [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone

[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 124588883) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID124588883
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(-c3ncccn3)n2)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H20N4OS/c1-20(2)13-24(11-15(20)14-7-4-3-5-8-14)19(25)16-12-26-18(23-16)17-21-9-6-10-22-17/h3-10,12,15H,11,13H2,1-2H3/t15-/m1/s1
InChIKeyCZQNYFJKPGVERA-OAHLLOKOSA-N
XLogP3.87
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 126451698
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 126440527
1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 136540659
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 120819742
(2,4-dimethyl-1,3-oxazol-5-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 124588885
[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 135091402
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
(3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 126441051
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 124569564
3-[(3R)-1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124702033
[4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 126436258
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 124570113

Frequently Asked Questions

What is the IUPAC name of [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone (CID 124588883) is [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone is CC1(C)CN(C(=O)c2csc(-c3ncccn3)n2)C[C@@H]1c1ccccc1.
What is the InChIKey of [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is CZQNYFJKPGVERA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-20(2)13-24(11-15(20)14-7-4-3-5-8-14)19(25)16-12-26-18(23-16)17-21-9-6-10-22-17/h3-10,12,15H,11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 364.47 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124588883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).