1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C18H21N3O2S — CID 154802314

IUPAC1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1cccc(CCC(=O)N2CCCC2C(=O)Nc2nccs2)c1
InChIInChI=1S/C18H21N3O2S/c1-13-4-2-5-14(12-13)7-8-16(22)21-10-3-6-15(21)17(23)20-18-19-9-11-24-18/h2,4-5,9,11-12,15H,3,6-8,10H2,1H3,(H,19,20,23)
InChIKeyDDUSFUFAPBCTKO-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.01
Rot. Bonds5

About 1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 154802314) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID154802314
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1cccc(CCC(=O)N2CCCC2C(=O)Nc2nccs2)c1
InChIInChI=1S/C18H21N3O2S/c1-13-4-2-5-14(12-13)7-8-16(22)21-10-3-6-15(21)17(23)20-18-19-9-11-24-18/h2,4-5,9,11-12,15H,3,6-8,10H2,1H3,(H,19,20,23)
InChIKeyDDUSFUFAPBCTKO-UHFFFAOYSA-N
XLogP3.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922373
1-[2-[4-(4-methylphenoxy)phenoxy]acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670197
1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120564792
1-[2-(5-methylthiophen-2-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136579036
1-[3-(3-methylphenyl)propanoyl]azepane-2-carboxylic acid
CID 64559157
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
(2S)-1-(3-ethoxybenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 94604846
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 134037190
1-(2,5-dimethylfuran-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576772
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138
N-(1,3-benzothiazol-2-yl)-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 86882394

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 154802314) is 1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is Cc1cccc(CCC(=O)N2CCCC2C(=O)Nc2nccs2)c1.
What is the InChIKey of 1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is DDUSFUFAPBCTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13-4-2-5-14(12-13)7-8-16(22)21-10-3-6-15(21)17(23)20-18-19-9-11-24-18/h2,4-5,9,11-12,15H,3,6-8,10H2,1H3,(H,19,20,23).
What are the key properties of 1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154802314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).