2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone

C24H28N6OS — CID 53246582

IUPAC2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
SMILESC[C@@H]1CN(c2cncnc2)C[C@H](C)N1CC(=O)N1CCc2nc(-c3ccccc3)sc2C1
InChIInChI=1S/C24H28N6OS/c1-17-12-29(20-10-25-16-26-11-20)13-18(2)30(17)15-23(31)28-9-8-21-22(14-28)32-24(27-21)19-6-4-3-5-7-19/h3-7,10-11,16-18H,8-9,12-15H2,1-2H3/t17-,18+
InChIKeyZXDHUQWWVIFESY-HDICACEKSA-N
MW448.60 g/mol
LogP3.08
Rot. Bonds4

About 2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone

2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone (PubChem CID 53246582) has the molecular formula C24H28N6OS and a molecular weight of 448.60 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
PubChem CID53246582
Molecular FormulaC24H28N6OS
Molecular Weight448.60 g/mol
Exact Mass448.20
IUPAC Name2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
SMILESC[C@@H]1CN(c2cncnc2)C[C@H](C)N1CC(=O)N1CCc2nc(-c3ccccc3)sc2C1
InChIInChI=1S/C24H28N6OS/c1-17-12-29(20-10-25-16-26-11-20)13-18(2)30(17)15-23(31)28-9-8-21-22(14-28)32-24(27-21)19-6-4-3-5-7-19/h3-7,10-11,16-18H,8-9,12-15H2,1-2H3/t17-,18+
InChIKeyZXDHUQWWVIFESY-HDICACEKSA-N
XLogP3.08
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.60
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone (CID 53246582) is 2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone is C[C@@H]1CN(c2cncnc2)C[C@H](C)N1CC(=O)N1CCc2nc(-c3ccccc3)sc2C1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The InChIKey is ZXDHUQWWVIFESY-HDICACEKSA-N. The full InChI is InChI=1S/C24H28N6OS/c1-17-12-29(20-10-25-16-26-11-20)13-18(2)30(17)15-23(31)28-9-8-21-22(14-28)32-24(27-21)19-6-4-3-5-7-19/h3-7,10-11,16-18H,8-9,12-15H2,1-2H3/t17-,18+.
What are the key properties of 2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone has a molecular weight of 448.60 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 53246582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).