[4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

C24H32N4OS — CID 10502458

IUPAC[4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCC(C)(CCN1CCN(C(=O)[C@@H]2CSC(c3cccnc3)N2)CC1)c1ccccc1
InChIInChI=1S/C24H32N4OS/c1-24(2,20-8-4-3-5-9-20)10-12-27-13-15-28(16-14-27)23(29)21-18-30-22(26-21)19-7-6-11-25-17-19/h3-9,11,17,21-22,26H,10,12-16,18H2,1-2H3/t21-,22?/m0/s1
InChIKeyHEXKEOJEDCYAPX-HMTLIYDFSA-N
MW424.61 g/mol
LogP3.30
Rot. Bonds6

About [4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

[4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10502458) has the molecular formula C24H32N4OS and a molecular weight of 424.61 g/mol. Its IUPAC name is [4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10502458
Molecular FormulaC24H32N4OS
Molecular Weight424.61 g/mol
Exact Mass424.23
IUPAC Name[4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCC(C)(CCN1CCN(C(=O)[C@@H]2CSC(c3cccnc3)N2)CC1)c1ccccc1
InChIInChI=1S/C24H32N4OS/c1-24(2,20-8-4-3-5-9-20)10-12-27-13-15-28(16-14-27)23(29)21-18-30-22(26-21)19-7-6-11-25-17-19/h3-9,11,17,21-22,26H,10,12-16,18H2,1-2H3/t21-,22?/m0/s1
InChIKeyHEXKEOJEDCYAPX-HMTLIYDFSA-N
XLogP3.30
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10502458) is [4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is CC(C)(CCN1CCN(C(=O)[C@@H]2CSC(c3cccnc3)N2)CC1)c1ccccc1.
What is the InChIKey of [4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is HEXKEOJEDCYAPX-HMTLIYDFSA-N. The full InChI is InChI=1S/C24H32N4OS/c1-24(2,20-8-4-3-5-9-20)10-12-27-13-15-28(16-14-27)23(29)21-18-30-22(26-21)19-7-6-11-25-17-19/h3-9,11,17,21-22,26H,10,12-16,18H2,1-2H3/t21-,22?/m0/s1.
What are the key properties of [4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
[4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 424.61 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10502458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).