3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one

C19H14N2O4S — CID 1159991

IUPAC3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one
SMILESCOc1cccc2cc(-c3csc(Nc4ccc(O)cc4)n3)c(=O)oc12
InChIInChI=1S/C19H14N2O4S/c1-24-16-4-2-3-11-9-14(18(23)25-17(11)16)15-10-26-19(21-15)20-12-5-7-13(22)8-6-12/h2-10,22H,1H3,(H,20,21)
InChIKeyNMKXQKDVWHPZCO-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.37
Rot. Bonds4

About 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one

3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one (PubChem CID 1159991) 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]-8-methoxychromen-2-one.

Molecular Properties

Compound Name3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one
PubChem CID1159991
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one
SMILESCOc1cccc2cc(-c3csc(Nc4ccc(O)cc4)n3)c(=O)oc12
InChIInChI=1S/C19H14N2O4S/c1-24-16-4-2-3-11-9-14(18(23)25-17(11)16)15-10-26-19(21-15)20-12-5-7-13(22)8-6-12/h2-10,22H,1H3,(H,20,21)
InChIKeyNMKXQKDVWHPZCO-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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Related Compounds

3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one
CID 1128729
8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 1108270
8-methoxy-3-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 11144292
8-methoxy-3-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 7573717
8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 60615748
N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 4098996
3-(2-anilino-1,3-thiazol-4-yl)-7-hydroxychromen-2-one
CID 5405778
3-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-8-nitrochromen-2-one
CID 118688967
1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide
CID 3627023
8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one
CID 3239008
N-(1,3-benzodioxol-5-ylmethyl)-N'-[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanediamide
CID 3627019
3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 15263193

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one?
The IUPAC name of 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one (CID 1159991) is 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one.
What is the SMILES notation for 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one?
The canonical SMILES for 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one is COc1cccc2cc(-c3csc(Nc4ccc(O)cc4)n3)c(=O)oc12.
What is the InChIKey of 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one?
The InChIKey is NMKXQKDVWHPZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-24-16-4-2-3-11-9-14(18(23)25-17(11)16)15-10-26-19(21-15)20-12-5-7-13(22)8-6-12/h2-10,22H,1H3,(H,20,21).
What are the key properties of 3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one?
3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-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]-8-methoxychromen-2-one is sourced from PubChem (CID 1159991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).