piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone

C15H24N4OS — CID 82435601

IUPACpiperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone
SMILESCC(C)c1nc(N2CCCC2)sc1C(=O)N1CCNCC1
InChIInChI=1S/C15H24N4OS/c1-11(2)12-13(14(20)18-9-5-16-6-10-18)21-15(17-12)19-7-3-4-8-19/h11,16H,3-10H2,1-2H3
InChIKeyFTRKODYVUMZXDK-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.91
Rot. Bonds3

About piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone

piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone (PubChem CID 82435601) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone
PubChem CID82435601
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Namepiperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone
SMILESCC(C)c1nc(N2CCCC2)sc1C(=O)N1CCNCC1
InChIInChI=1S/C15H24N4OS/c1-11(2)12-13(14(20)18-9-5-16-6-10-18)21-15(17-12)19-7-3-4-8-19/h11,16H,3-10H2,1-2H3
InChIKeyFTRKODYVUMZXDK-UHFFFAOYSA-N
XLogP1.91
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393406
ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate
CID 57037408
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 116667420
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 79393186
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 116668787
piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone
CID 82509572
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 116666223
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396833
(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402426
1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride
CID 119416965
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663332

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone (CID 82435601) is piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone is CC(C)c1nc(N2CCCC2)sc1C(=O)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is FTRKODYVUMZXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-11(2)12-13(14(20)18-9-5-16-6-10-18)21-15(17-12)19-7-3-4-8-19/h11,16H,3-10H2,1-2H3.
What are the key properties of piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone?
piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 308.45 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 82435601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).