1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C19H21N3O2S — CID 17488056

IUPAC1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)C3CC(=O)N(C4CC4)C3)n2)c1
InChIInChI=1S/C19H21N3O2S/c1-11-3-4-12(2)15(7-11)16-10-25-19(20-16)21-18(24)13-8-17(23)22(9-13)14-5-6-14/h3-4,7,10,13-14H,5-6,8-9H2,1-2H3,(H,20,21,24)
InChIKeyIPOOIOXUFFOZER-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.38
Rot. Bonds4

About 1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17488056) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17488056
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)C3CC(=O)N(C4CC4)C3)n2)c1
InChIInChI=1S/C19H21N3O2S/c1-11-3-4-12(2)15(7-11)16-10-25-19(20-16)21-18(24)13-8-17(23)22(9-13)14-5-6-14/h3-4,7,10,13-14H,5-6,8-9H2,1-2H3,(H,20,21,24)
InChIKeyIPOOIOXUFFOZER-UHFFFAOYSA-N
XLogP3.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831714
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17081409
(1S,2S,3R,4S)-3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18390510
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
(3S,7aS)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 7872576
1-[(4-methylphenyl)methyl]-5-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 16550159
(3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95306606
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9049138
1-(3,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6497645
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 9351117

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 17488056) is 1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(C)c(-c2csc(NC(=O)C3CC(=O)N(C4CC4)C3)n2)c1.
What is the InChIKey of 1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IPOOIOXUFFOZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11-3-4-12(2)15(7-11)16-10-25-19(20-16)21-18(24)13-8-17(23)22(9-13)14-5-6-14/h3-4,7,10,13-14H,5-6,8-9H2,1-2H3,(H,20,21,24).
What are the key properties of 1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17488056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).