3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one

C18H14N2O3S — CID 3810077

IUPAC3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
SMILESCOc1ccc(-c2csc(NC3OC(=O)c4ccccc43)n2)cc1
InChIInChI=1S/C18H14N2O3S/c1-22-12-8-6-11(7-9-12)15-10-24-18(19-15)20-16-13-4-2-3-5-14(13)17(21)23-16/h2-10,16H,1H3,(H,19,20)
InChIKeyAJHIXYKYCQQHOB-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.10
Rot. Bonds4

About 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one

3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one (PubChem CID 3810077) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
PubChem CID3810077
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
SMILESCOc1ccc(-c2csc(NC3OC(=O)c4ccccc43)n2)cc1
InChIInChI=1S/C18H14N2O3S/c1-22-12-8-6-11(7-9-12)15-10-24-18(19-15)20-16-13-4-2-3-5-14(13)17(21)23-16/h2-10,16H,1H3,(H,19,20)
InChIKeyAJHIXYKYCQQHOB-UHFFFAOYSA-N
XLogP4.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one (CID 3810077) is 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one is COc1ccc(-c2csc(NC3OC(=O)c4ccccc43)n2)cc1.
What is the InChIKey of 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one?
The InChIKey is AJHIXYKYCQQHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-22-12-8-6-11(7-9-12)15-10-24-18(19-15)20-16-13-4-2-3-5-14(13)17(21)23-16/h2-10,16H,1H3,(H,19,20).
What are the key properties of 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one?
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one has a molecular weight of 338.39 g/mol, XLogP of 4.10, 4 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]amino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 3810077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).