3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one

C19H14N2O4S — CID 1159993

IUPAC3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3csc(Nc4ccc(O)cc4)n3)cc2c1
InChIInChI=1S/C19H14N2O4S/c1-24-14-6-7-17-11(8-14)9-15(18(23)25-17)16-10-26-19(21-16)20-12-2-4-13(22)5-3-12/h2-10,22H,1H3,(H,20,21)
InChIKeyDYSCLIVXKYXJOU-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.37
Rot. Bonds4

About 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one

3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one (PubChem CID 1159993) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one.

Molecular Properties

Compound Name3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one
PubChem CID1159993
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3csc(Nc4ccc(O)cc4)n3)cc2c1
InChIInChI=1S/C19H14N2O4S/c1-24-14-6-7-17-11(8-14)9-15(18(23)25-17)16-10-26-19(21-16)20-12-2-4-13(22)5-3-12/h2-10,22H,1H3,(H,20,21)
InChIKeyDYSCLIVXKYXJOU-UHFFFAOYSA-N
XLogP4.37
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one?
The IUPAC name of 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one (CID 1159993) is 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one.
What is the SMILES notation for 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one?
The canonical SMILES for 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one is COc1ccc2oc(=O)c(-c3csc(Nc4ccc(O)cc4)n3)cc2c1.
What is the InChIKey of 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one?
The InChIKey is DYSCLIVXKYXJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-24-14-6-7-17-11(8-14)9-15(18(23)25-17)16-10-26-19(21-16)20-12-2-4-13(22)5-3-12/h2-10,22H,1H3,(H,20,21).
What are the key properties of 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one?
3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one has a molecular weight of 366.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one is sourced from PubChem (CID 1159993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).