[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone

C17H25N3OS — CID 70773921

IUPAC[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)[C@@H]3CSCN3C)CC2)c1
InChIInChI=1S/C17H25N3OS/c1-14-4-3-5-15(10-14)11-19-6-8-20(9-7-19)17(21)16-12-22-13-18(16)2/h3-5,10,16H,6-9,11-13H2,1-2H3/t16-/m0/s1
InChIKeyHFJBQXWITBIRRP-INIZCTEOSA-N
MW319.47 g/mol
LogP1.64
Rot. Bonds3

About [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone

[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone (PubChem CID 70773921) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
PubChem CID70773921
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)[C@@H]3CSCN3C)CC2)c1
InChIInChI=1S/C17H25N3OS/c1-14-4-3-5-15(10-14)11-19-6-8-20(9-7-19)17(21)16-12-22-13-18(16)2/h3-5,10,16H,6-9,11-13H2,1-2H3/t16-/m0/s1
InChIKeyHFJBQXWITBIRRP-INIZCTEOSA-N
XLogP1.64
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone (CID 70773921) is [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone is Cc1cccc(CN2CCN(C(=O)[C@@H]3CSCN3C)CC2)c1.
What is the InChIKey of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is HFJBQXWITBIRRP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-14-4-3-5-15(10-14)11-19-6-8-20(9-7-19)17(21)16-12-22-13-18(16)2/h3-5,10,16H,6-9,11-13H2,1-2H3/t16-/m0/s1.
What are the key properties of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 319.47 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 70773921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).