2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C15H24N4OS — CID 56781020

IUPAC2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1csc(N2CCN(CC(=O)N3CCCC3)CC2C)n1
InChIInChI=1S/C15H24N4OS/c1-12-11-21-15(16-12)19-8-7-17(9-13(19)2)10-14(20)18-5-3-4-6-18/h11,13H,3-10H2,1-2H3
InChIKeyHWFVOQNMVKXORE-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.58
Rot. Bonds3

About 2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 56781020) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID56781020
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1csc(N2CCN(CC(=O)N3CCCC3)CC2C)n1
InChIInChI=1S/C15H24N4OS/c1-12-11-21-15(16-12)19-8-7-17(9-13(19)2)10-14(20)18-5-3-4-6-18/h11,13H,3-10H2,1-2H3
InChIKeyHWFVOQNMVKXORE-UHFFFAOYSA-N
XLogP1.58
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylthiazol-2-yl)pyrrolidin-2-one
CID 3015940
1-[4-(Pyrrolidine-1-carbonyl)-1,3-thiazol-2-YL]piperidine
CID 53015911
1-[3-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47524156
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53506599
1-[3-[4-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 53541370
1-[2-[3-Methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]imidazolidin-2-one
CID 53612097
N-(2-methoxyethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 53613116
2-(diethylamino)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 56792319
2-(4-methylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 66573026
1-{2-[1-(4-Methyl-1,3-thiazol-2-YL)piperidin-4-YL]ethyl}pyrrolidin-2-one
CID 70754973
N,N-dimethyl-2-(4-methylpiperazino)-1,3-thiazole-4-carboxamide
CID 53014663
[2-(4-Methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53014668

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 56781020) is 2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is Cc1csc(N2CCN(CC(=O)N3CCCC3)CC2C)n1.
What is the InChIKey of 2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is HWFVOQNMVKXORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-12-11-21-15(16-12)19-8-7-17(9-13(19)2)10-14(20)18-5-3-4-6-18/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 308.45 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 56781020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).