3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione

C26H27N5O3S — CID 24608889

IUPAC3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1=O
InChIInChI=1S/C26H27N5O3S/c1-2-30-25(33)21-10-6-7-11-22(21)31(26(30)34)17-23(32)29-14-12-28(13-15-29)16-20-18-35-24(27-20)19-8-4-3-5-9-19/h3-11,18H,2,12-17H2,1H3
InChIKeyULWGIEMELWLJML-UHFFFAOYSA-N
MW489.60 g/mol
LogP2.65
Rot. Bonds6

About 3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione

3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione (PubChem CID 24608889) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
PubChem CID24608889
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1=O
InChIInChI=1S/C26H27N5O3S/c1-2-30-25(33)21-10-6-7-11-22(21)31(26(30)34)17-23(32)29-14-12-28(13-15-29)16-20-18-35-24(27-20)19-8-4-3-5-9-19/h3-11,18H,2,12-17H2,1H3
InChIKeyULWGIEMELWLJML-UHFFFAOYSA-N
XLogP2.65
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione?
The IUPAC name of 3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione (CID 24608889) is 3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione?
The canonical SMILES for 3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione is CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1=O.
What is the InChIKey of 3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione?
The InChIKey is ULWGIEMELWLJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-2-30-25(33)21-10-6-7-11-22(21)31(26(30)34)17-23(32)29-14-12-28(13-15-29)16-20-18-35-24(27-20)19-8-4-3-5-9-19/h3-11,18H,2,12-17H2,1H3.
What are the key properties of 3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione?
3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione has a molecular weight of 489.60 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione is sourced from PubChem (CID 24608889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).