6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one

C20H16N2O4S — CID 1253888

IUPAC6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3csc(Nc4ccccc4OC)n3)cc2c1
InChIInChI=1S/C20H16N2O4S/c1-24-13-7-8-17-12(9-13)10-14(19(23)26-17)16-11-27-20(22-16)21-15-5-3-4-6-18(15)25-2/h3-11H,1-2H3,(H,21,22)
InChIKeyHNOFGPUDHFKWGB-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.68
Rot. Bonds5

About 6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one

6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 1253888) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
PubChem CID1253888
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3csc(Nc4ccccc4OC)n3)cc2c1
InChIInChI=1S/C20H16N2O4S/c1-24-13-7-8-17-12(9-13)10-14(19(23)26-17)16-11-27-20(22-16)21-15-5-3-4-6-18(15)25-2/h3-11H,1-2H3,(H,21,22)
InChIKeyHNOFGPUDHFKWGB-UHFFFAOYSA-N
XLogP4.68
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one
CID 1038778
4-(1-benzofuran-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 684498
6-methoxy-3-[2-[(2E)-2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 172653636
3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one
CID 6256819
3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 15263193
3-[5-(2,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one
CID 23771057
3-[5-(5-chloro-2-methoxyanilino)-1,3,4-thiadiazol-2-yl]-6-methoxychromen-2-one
CID 3304590
4-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)-1,3-thiazol-2-amine
CID 101224288
2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 16911422
6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 657928
8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 1108270
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one (CID 1253888) is 6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one is COc1ccc2oc(=O)c(-c3csc(Nc4ccccc4OC)n3)cc2c1.
What is the InChIKey of 6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is HNOFGPUDHFKWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-24-13-7-8-17-12(9-13)10-14(19(23)26-17)16-11-27-20(22-16)21-15-5-3-4-6-18(15)25-2/h3-11H,1-2H3,(H,21,22).
What are the key properties of 6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 380.43 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 1253888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).