3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione

C17H18N4O2S — CID 75387867

IUPAC3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCc1csc(N2CCCC2)n1
InChIInChI=1S/C17H18N4O2S/c22-15-13-5-1-2-6-14(13)19-16(23)21(15)10-7-12-11-24-17(18-12)20-8-3-4-9-20/h1-2,5-6,11H,3-4,7-10H2,(H,19,23)
InChIKeyOQXHFWPGBRVYHM-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.99
Rot. Bonds4

About 3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione

3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione (PubChem CID 75387867) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione
PubChem CID75387867
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCc1csc(N2CCCC2)n1
InChIInChI=1S/C17H18N4O2S/c22-15-13-5-1-2-6-14(13)19-16(23)21(15)10-7-12-11-24-17(18-12)20-8-3-4-9-20/h1-2,5-6,11H,3-4,7-10H2,(H,19,23)
InChIKeyOQXHFWPGBRVYHM-UHFFFAOYSA-N
XLogP1.99
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione (CID 75387867) is 3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1CCc1csc(N2CCCC2)n1.
What is the InChIKey of 3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is OQXHFWPGBRVYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-15-13-5-1-2-6-14(13)19-16(23)21(15)10-7-12-11-24-17(18-12)20-8-3-4-9-20/h1-2,5-6,11H,3-4,7-10H2,(H,19,23).
What are the key properties of 3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione?
3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 342.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 75387867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).