(2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

C17H21N3O2S — CID 155774612

IUPAC(2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1ncsc1-c1ccc(C(C)N2CCC[C@@]2(O)C(N)=O)cc1
InChIInChI=1S/C17H21N3O2S/c1-11-15(23-10-19-11)14-6-4-13(5-7-14)12(2)20-9-3-8-17(20,22)16(18)21/h4-7,10,12,22H,3,8-9H2,1-2H3,(H2,18,21)/t12?,17-/m1/s1
InChIKeyRYHLRYZQDMSODV-RGUGMKFQSA-N
MW331.44 g/mol
LogP2.45
Rot. Bonds4

About (2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

(2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 155774612) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID155774612
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name(2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1ncsc1-c1ccc(C(C)N2CCC[C@@]2(O)C(N)=O)cc1
InChIInChI=1S/C17H21N3O2S/c1-11-15(23-10-19-11)14-6-4-13(5-7-14)12(2)20-9-3-8-17(20,22)16(18)21/h4-7,10,12,22H,3,8-9H2,1-2H3,(H2,18,21)/t12?,17-/m1/s1
InChIKeyRYHLRYZQDMSODV-RGUGMKFQSA-N
XLogP2.45
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride
CID 164897606
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 155048065
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166996489
(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
CID 154979709
(2S)-1-[(Z,2R)-5-amino-3-oxo-2-propan-2-ylpent-4-enoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 139577005
1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 164705218
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
2,2-dimethylpropan-1-amine;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 142464569
5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole
CID 156886524
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324
ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate
CID 177224522

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 155774612) is (2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is Cc1ncsc1-c1ccc(C(C)N2CCC[C@@]2(O)C(N)=O)cc1.
What is the InChIKey of (2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is RYHLRYZQDMSODV-RGUGMKFQSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-15(23-10-19-11)14-6-4-13(5-7-14)12(2)20-9-3-8-17(20,22)16(18)21/h4-7,10,12,22H,3,8-9H2,1-2H3,(H2,18,21)/t12?,17-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
(2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155774612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).