N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide

C18H13N3O3S — CID 1179338

IUPACN-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cn3c(=O)c4ccccc4nc3s2)cc1
InChIInChI=1S/C18H13N3O3S/c1-24-12-8-6-11(7-9-12)19-16(22)15-10-21-17(23)13-4-2-3-5-14(13)20-18(21)25-15/h2-10H,1H3,(H,19,22)
InChIKeyBFNVFFJQQGRJHJ-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.17
Rot. Bonds3

About N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide

N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide (PubChem CID 1179338) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide
PubChem CID1179338
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC NameN-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cn3c(=O)c4ccccc4nc3s2)cc1
InChIInChI=1S/C18H13N3O3S/c1-24-12-8-6-11(7-9-12)19-16(22)15-10-21-17(23)13-4-2-3-5-14(13)20-18(21)25-15/h2-10H,1H3,(H,19,22)
InChIKeyBFNVFFJQQGRJHJ-UHFFFAOYSA-N
XLogP3.17
TPSA72.70 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 19826341
N-(4-methoxyphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015253
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea
CID 18585014
N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide
CID 134106873
3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 86129650
N-(4-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624618
3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2540338
3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 71593748
1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
CID 35280532

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide (CID 1179338) is N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide is COc1ccc(NC(=O)c2cn3c(=O)c4ccccc4nc3s2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide?
The InChIKey is BFNVFFJQQGRJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c1-24-12-8-6-11(7-9-12)19-16(22)15-10-21-17(23)13-4-2-3-5-14(13)20-18(21)25-15/h2-10H,1H3,(H,19,22).
What are the key properties of N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide?
N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide is sourced from PubChem (CID 1179338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).