3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione

C16H10N4O2S — CID 24768280

IUPAC3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C16H10N4O2S/c21-15-11-3-1-2-4-12(11)18-16(22)20(15)13-9-23-14(19-13)10-5-7-17-8-6-10/h1-9H,(H,18,22)
InChIKeyOJMGRXBLRVNRKU-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.20
Rot. Bonds2

About 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione

3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione (PubChem CID 24768280) has the molecular formula C16H10N4O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione
PubChem CID24768280
Molecular FormulaC16H10N4O2S
Molecular Weight322.35 g/mol
Exact Mass322.05
IUPAC Name3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C16H10N4O2S/c21-15-11-3-1-2-4-12(11)18-16(22)20(15)13-9-23-14(19-13)10-5-7-17-8-6-10/h1-9H,(H,18,22)
InChIKeyOJMGRXBLRVNRKU-UHFFFAOYSA-N
XLogP2.20
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione (CID 24768280) is 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1-c1csc(-c2ccncc2)n1.
What is the InChIKey of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione?
The InChIKey is OJMGRXBLRVNRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2S/c21-15-11-3-1-2-4-12(11)18-16(22)20(15)13-9-23-14(19-13)10-5-7-17-8-6-10/h1-9H,(H,18,22).
What are the key properties of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione?
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione has a molecular weight of 322.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 24768280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).