[2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C16H24N4O2S — CID 120997152

IUPAC[2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1csc(C2CCCO2)n1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C16H24N4O2S/c21-16(13-11-23-15(18-13)14-2-1-9-22-14)20-6-3-12(10-20)19-7-4-17-5-8-19/h11-12,14,17H,1-10H2
InChIKeyCIMPPQZURCGGLS-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.11
Rot. Bonds3

About [2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

[2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120997152) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is [2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120997152
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name[2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1csc(C2CCCO2)n1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C16H24N4O2S/c21-16(13-11-23-15(18-13)14-2-1-9-22-14)20-6-3-12(10-20)19-7-4-17-5-8-19/h11-12,14,17H,1-10H2
InChIKeyCIMPPQZURCGGLS-UHFFFAOYSA-N
XLogP1.11
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996986
(2-methyl-1,3-thiazol-4-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110465363
6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514810
(3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3503776
(4-bromothiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994398
(1-cyclopentylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997672
(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996015
(5-nitrothiophen-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997241
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
(3R)-1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 124576560
4-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 66887389
azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone
CID 3678062

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120997152) is [2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is O=C(c1csc(C2CCCO2)n1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of [2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is CIMPPQZURCGGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c21-16(13-11-23-15(18-13)14-2-1-9-22-14)20-6-3-12(10-20)19-7-4-17-5-8-19/h11-12,14,17H,1-10H2.
What are the key properties of [2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
[2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 336.46 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120997152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).