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

C16H19N3OS — CID 126451698

IUPAC(2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)c2csc(N)n2)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-16(2)10-19(14(20)13-9-21-15(17)18-13)8-12(16)11-6-4-3-5-7-11/h3-7,9,12H,8,10H2,1-2H3,(H2,17,18)/t12-/m1/s1
InChIKeyBNEIYMJQGXSUGR-GFCCVEGCSA-N
MW301.42 g/mol
LogP2.99
Rot. Bonds2

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

(2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone (PubChem CID 126451698) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
PubChem CID126451698
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)c2csc(N)n2)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-16(2)10-19(14(20)13-9-21-15(17)18-13)8-12(16)11-6-4-3-5-7-11/h3-7,9,12H,8,10H2,1-2H3,(H2,17,18)/t12-/m1/s1
InChIKeyBNEIYMJQGXSUGR-GFCCVEGCSA-N
XLogP2.99
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124588883
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 126440527
(2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62787759
(2,4-dimethyl-1,3-oxazol-5-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 124588885
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 124569564
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 124570113
2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116682305
(3R,4S)-1-(2-ethyl-1,3-thiazole-4-carbonyl)-4-phenyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 166317983
(3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 126441051
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 120819742
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124588870
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124588881

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone (CID 126451698) is (2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone is CC1(C)CN(C(=O)c2csc(N)n2)C[C@@H]1c1ccccc1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone?
The InChIKey is BNEIYMJQGXSUGR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-16(2)10-19(14(20)13-9-21-15(17)18-13)8-12(16)11-6-4-3-5-7-11/h3-7,9,12H,8,10H2,1-2H3,(H2,17,18)/t12-/m1/s1.
What are the key properties of (2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone?
(2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone has a molecular weight of 301.42 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 126451698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).