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

C18H13N3O3S — CID 10066534

IUPAC3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione
SMILESCOc1ccc(-c2csc(-n3c(=O)[nH]c4ccccc4c3=O)n2)cc1
InChIInChI=1S/C18H13N3O3S/c1-24-12-8-6-11(7-9-12)15-10-25-18(20-15)21-16(22)13-4-2-3-5-14(13)19-17(21)23/h2-10H,1H3,(H,19,23)
InChIKeyPKEJKWCHOFUATH-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.81
Rot. Bonds3

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

3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione (PubChem CID 10066534) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione
PubChem CID10066534
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione
SMILESCOc1ccc(-c2csc(-n3c(=O)[nH]c4ccccc4c3=O)n2)cc1
InChIInChI=1S/C18H13N3O3S/c1-24-12-8-6-11(7-9-12)15-10-25-18(20-15)21-16(22)13-4-2-3-5-14(13)19-17(21)23/h2-10H,1H3,(H,19,23)
InChIKeyPKEJKWCHOFUATH-UHFFFAOYSA-N
XLogP2.81
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione
CID 91621526
3-(2-methoxynaphthalen-1-yl)-1H-quinazoline-2,4-dione
CID 11738646
17-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2837111
3-(4-methoxyphenyl)-7H-[1,2,4]triazino[4,3-c]quinazoline-4,6-dione
CID 135952265
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261301
(4S)-4-[(2-hydroxyphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one
CID 136782951
ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 91492397
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one
CID 3744324
3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione
CID 2754474

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione (CID 10066534) is 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione is COc1ccc(-c2csc(-n3c(=O)[nH]c4ccccc4c3=O)n2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione?
The InChIKey is PKEJKWCHOFUATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c1-24-12-8-6-11(7-9-12)15-10-25-18(20-15)21-16(22)13-4-2-3-5-14(13)19-17(21)23/h2-10H,1H3,(H,19,23).
What are the key properties of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione?
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione has a molecular weight of 351.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 10066534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).