2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C19H24N4O3S — CID 39462105

IUPAC2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H24N4O3S/c1-14-17(20-18(27-14)15-5-4-12-26-15)19(25)23-10-8-21(9-11-23)13-16(24)22-6-2-3-7-22/h4-5,12H,2-3,6-11,13H2,1H3
InChIKeyQQCYEDDVZSSWQO-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.09
Rot. Bonds4

About 2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 39462105) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID39462105
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H24N4O3S/c1-14-17(20-18(27-14)15-5-4-12-26-15)19(25)23-10-8-21(9-11-23)13-16(24)22-6-2-3-7-22/h4-5,12H,2-3,6-11,13H2,1H3
InChIKeyQQCYEDDVZSSWQO-UHFFFAOYSA-N
XLogP2.09
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326170
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55583079
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 30827996
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43417508
1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167777
(3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119174167
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874467
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900533
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119577581
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119539568

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 39462105) is 2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is Cc1sc(-c2ccco2)nc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is QQCYEDDVZSSWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-14-17(20-18(27-14)15-5-4-12-26-15)19(25)23-10-8-21(9-11-23)13-16(24)22-6-2-3-7-22/h4-5,12H,2-3,6-11,13H2,1H3.
What are the key properties of 2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 388.49 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 39462105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).