8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one

C20H16N2O3S — CID 1108270

IUPAC8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one
SMILESCOc1cccc2cc(-c3csc(Nc4cccc(C)c4)n3)c(=O)oc12
InChIInChI=1S/C20H16N2O3S/c1-12-5-3-7-14(9-12)21-20-22-16(11-26-20)15-10-13-6-4-8-17(24-2)18(13)25-19(15)23/h3-11H,1-2H3,(H,21,22)
InChIKeyPJSNMICFSBBQGQ-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.98
Rot. Bonds4

About 8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one

8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 1108270) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one
PubChem CID1108270
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one
SMILESCOc1cccc2cc(-c3csc(Nc4cccc(C)c4)n3)c(=O)oc12
InChIInChI=1S/C20H16N2O3S/c1-12-5-3-7-14(9-12)21-20-22-16(11-26-20)15-10-13-6-4-8-17(24-2)18(13)25-19(15)23/h3-11H,1-2H3,(H,21,22)
InChIKeyPJSNMICFSBBQGQ-UHFFFAOYSA-N
XLogP4.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]-8-methoxychromen-2-one
CID 1128729
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CID 1159991
8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 60615748
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-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 11144292
N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 4098996
8-chloro-3-[2-(2-methyl-6-propan-2-yloxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 118882116
8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one
CID 3239008
3-[2-(3-chloroanilino)-5-ethyl-1,3-thiazol-4-yl]-8-methoxychromen-2-one
CID 4523553
1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide
CID 3627023
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 1253888

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one (CID 1108270) is 8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one is COc1cccc2cc(-c3csc(Nc4cccc(C)c4)n3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is PJSNMICFSBBQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-12-5-3-7-14(9-12)21-20-22-16(11-26-20)15-10-13-6-4-8-17(24-2)18(13)25-19(15)23/h3-11H,1-2H3,(H,21,22).
What are the key properties of 8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one?
8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 364.43 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 1108270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).