1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide

C17H19N3O2S — CID 56922956

IUPAC1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2nc(CC(=O)N3CCCC3C(N)=O)cs2)cc1
InChIInChI=1S/C17H19N3O2S/c1-11-4-6-12(7-5-11)17-19-13(10-23-17)9-15(21)20-8-2-3-14(20)16(18)22/h4-7,10,14H,2-3,8-9H2,1H3,(H2,18,22)
InChIKeyUVCOBHKUPVZVOD-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.14
Rot. Bonds4

About 1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide

1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 56922956) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
PubChem CID56922956
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2nc(CC(=O)N3CCCC3C(N)=O)cs2)cc1
InChIInChI=1S/C17H19N3O2S/c1-11-4-6-12(7-5-11)17-19-13(10-23-17)9-15(21)20-8-2-3-14(20)16(18)22/h4-7,10,14H,2-3,8-9H2,1H3,(H2,18,22)
InChIKeyUVCOBHKUPVZVOD-UHFFFAOYSA-N
XLogP2.14
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371423
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 55495719
1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 119175967
N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 78857638
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 119488489
(2R)-1-[2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371873
N-cyclopropyl-1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 86927918
(2S)-1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 8564762
1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 120572827
1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119355602
(2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 154742388
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide (CID 56922956) is 1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide is Cc1ccc(-c2nc(CC(=O)N3CCCC3C(N)=O)cs2)cc1.
What is the InChIKey of 1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is UVCOBHKUPVZVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-4-6-12(7-5-11)17-19-13(10-23-17)9-15(21)20-8-2-3-14(20)16(18)22/h4-7,10,14H,2-3,8-9H2,1H3,(H2,18,22).
What are the key properties of 1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide?
1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56922956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).