(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

C21H21N3OS — CID 42461535

IUPAC(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C21H21N3OS/c25-21(20-7-4-12-24(20)13-16-5-2-1-3-6-16)23-18-10-8-17(9-11-18)19-14-26-15-22-19/h1-3,5-6,8-11,14-15,20H,4,7,12-13H2,(H,23,25)/t20-/m1/s1
InChIKeyMRXLCDOMIMJHPS-HXUWFJFHSA-N
MW363.49 g/mol
LogP4.41
Rot. Bonds5

About (2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 42461535) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is (2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID42461535
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C21H21N3OS/c25-21(20-7-4-12-24(20)13-16-5-2-1-3-6-16)23-18-10-8-17(9-11-18)19-14-26-15-22-19/h1-3,5-6,8-11,14-15,20H,4,7,12-13H2,(H,23,25)/t20-/m1/s1
InChIKeyMRXLCDOMIMJHPS-HXUWFJFHSA-N
XLogP4.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461531
(2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 26315736
(2R)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 25366566
(2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42192308
N-[4-(1,3-thiazol-4-yl)phenyl]-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 45192719
(2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42595260
(2S)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42595262
(2R)-1-[(E)-2-methylbut-2-enyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42241276
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 45243042
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181
(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 26315659
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-benzylpiperidine-2-carboxamide
CID 120566843

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 42461535) is (2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is MRXLCDOMIMJHPS-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21N3OS/c25-21(20-7-4-12-24(20)13-16-5-2-1-3-6-16)23-18-10-8-17(9-11-18)19-14-26-15-22-19/h1-3,5-6,8-11,14-15,20H,4,7,12-13H2,(H,23,25)/t20-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42461535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).