5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole

C11H4Cl3N3S — CID 114031049

IUPAC5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole
SMILESClc1cc(Cl)c2nc(-c3cncs3)nc(Cl)c2c1
InChIInChI=1S/C11H4Cl3N3S/c12-5-1-6-9(7(13)2-5)16-11(17-10(6)14)8-3-15-4-18-8/h1-4H
InChIKeyHUDOLWCGCOSQKV-UHFFFAOYSA-N
MW316.60 g/mol
LogP4.71
Rot. Bonds1

About 5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole

5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole (PubChem CID 114031049) has the molecular formula C11H4Cl3N3S and a molecular weight of 316.60 g/mol. Its IUPAC name is 5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole
PubChem CID114031049
Molecular FormulaC11H4Cl3N3S
Molecular Weight316.60 g/mol
Exact Mass314.92
IUPAC Name5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole
SMILESClc1cc(Cl)c2nc(-c3cncs3)nc(Cl)c2c1
InChIInChI=1S/C11H4Cl3N3S/c12-5-1-6-9(7(13)2-5)16-11(17-10(6)14)8-3-15-4-18-8/h1-4H
InChIKeyHUDOLWCGCOSQKV-UHFFFAOYSA-N
XLogP4.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.60
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6,8-trichloro-2-thieno[3,2-b]thiophen-5-ylquinazoline
CID 80722276
4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
CID 103400530
2,4,6,8-tetrachloroquinazoline
CID 12703363
4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 63496972
2-(5-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline
CID 63496792
4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870560
2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline
CID 63496793
2,3,4,6,8-pentachloroquinoline
CID 97181861
4,8-dichloro-2-(4-methoxythiophen-2-yl)-6-methylquinazoline
CID 114590837
4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
CID 114590852
5-(3,4-dichlorophenyl)-1,3-thiazole
CID 76539858
4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline
CID 63086208

Frequently Asked Questions

What is the IUPAC name of 5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole?
The IUPAC name of 5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole (CID 114031049) is 5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole?
The canonical SMILES for 5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole is Clc1cc(Cl)c2nc(-c3cncs3)nc(Cl)c2c1.
What is the InChIKey of 5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole?
The InChIKey is HUDOLWCGCOSQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3N3S/c12-5-1-6-9(7(13)2-5)16-11(17-10(6)14)8-3-15-4-18-8/h1-4H.
What are the key properties of 5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole?
5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole has a molecular weight of 316.60 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole is sourced from PubChem (CID 114031049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).