1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone

C15H18N4O2S — CID 137473011

IUPAC1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2CCCN2C(=O)c2cn(C)c(C)n2)n1
InChIInChI=1S/C15H18N4O2S/c1-9(20)12-8-22-14(17-12)13-5-4-6-19(13)15(21)11-7-18(3)10(2)16-11/h7-8,13H,4-6H2,1-3H3
InChIKeyFQEGKLVMPDEZPO-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.36
Rot. Bonds3

About 1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone

1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone (PubChem CID 137473011) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone
PubChem CID137473011
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2CCCN2C(=O)c2cn(C)c(C)n2)n1
InChIInChI=1S/C15H18N4O2S/c1-9(20)12-8-22-14(17-12)13-5-4-6-19(13)15(21)11-7-18(3)10(2)16-11/h7-8,13H,4-6H2,1-3H3
InChIKeyFQEGKLVMPDEZPO-UHFFFAOYSA-N
XLogP2.36
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;2-[1-[2-methyl-1-(2-methylprop-1-enyl)imidazole-4-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 142525850
2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 101261624
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762416
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95313911
2-[1-(3-methyl-4-oxophthalazine-1-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 167924124
2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide
CID 68671050
(1-methylpyrrol-2-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768314
[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 136557575
2-[1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 126833568
[2-(methylamino)-1,3-thiazol-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 77087316
2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 137473009

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone (CID 137473011) is 1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(C2CCCN2C(=O)c2cn(C)c(C)n2)n1.
What is the InChIKey of 1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is FQEGKLVMPDEZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-9(20)12-8-22-14(17-12)13-5-4-6-19(13)15(21)11-7-18(3)10(2)16-11/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone?
1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 318.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 137473011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).