5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

C16H11ClN4OS — CID 10450103

IUPAC5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2cccc(Cl)c2CN1c1csc(-c2ccncc2)n1
InChIInChI=1S/C16H11ClN4OS/c17-12-2-1-3-13-11(12)8-21(16(22)19-13)14-9-23-15(20-14)10-4-6-18-7-5-10/h1-7,9H,8H2,(H,19,22)
InChIKeyZXLRQGOMWXZUTG-UHFFFAOYSA-N
MW342.81 g/mol
LogP4.41
Rot. Bonds2

About 5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (PubChem CID 10450103) has the molecular formula C16H11ClN4OS and a molecular weight of 342.81 g/mol. Its IUPAC name is 5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
PubChem CID10450103
Molecular FormulaC16H11ClN4OS
Molecular Weight342.81 g/mol
Exact Mass342.03
IUPAC Name5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2cccc(Cl)c2CN1c1csc(-c2ccncc2)n1
InChIInChI=1S/C16H11ClN4OS/c17-12-2-1-3-13-11(12)8-21(16(22)19-13)14-9-23-15(20-14)10-4-6-18-7-5-10/h1-7,9H,8H2,(H,19,22)
InChIKeyZXLRQGOMWXZUTG-UHFFFAOYSA-N
XLogP4.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (CID 10450103) is 5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is O=C1Nc2cccc(Cl)c2CN1c1csc(-c2ccncc2)n1.
What is the InChIKey of 5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The InChIKey is ZXLRQGOMWXZUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4OS/c17-12-2-1-3-13-11(12)8-21(16(22)19-13)14-9-23-15(20-14)10-4-6-18-7-5-10/h1-7,9H,8H2,(H,19,22).
What are the key properties of 5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one has a molecular weight of 342.81 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 10450103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).