[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate

C19H19NO4S — CID 984073

IUPAC[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate
SMILESCCCc1cc2c(=O)c(-c3nc(C)cs3)c(C)oc2cc1OC(C)=O
InChIInChI=1S/C19H19NO4S/c1-5-6-13-7-14-16(8-15(13)24-12(4)21)23-11(3)17(18(14)22)19-20-10(2)9-25-19/h7-9H,5-6H2,1-4H3
InChIKeyNVGMNXGIQPMJSN-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.41
Rot. Bonds4

About [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate

[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate (PubChem CID 984073) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate.

Molecular Properties

Compound Name[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate
PubChem CID984073
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate
SMILESCCCc1cc2c(=O)c(-c3nc(C)cs3)c(C)oc2cc1OC(C)=O
InChIInChI=1S/C19H19NO4S/c1-5-6-13-7-14-16(8-15(13)24-12(4)21)23-11(3)17(18(14)22)19-20-10(2)9-25-19/h7-9H,5-6H2,1-4H3
InChIKeyNVGMNXGIQPMJSN-UHFFFAOYSA-N
XLogP4.41
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate?
The IUPAC name of [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate (CID 984073) is [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate.
What is the SMILES notation for [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate?
The canonical SMILES for [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate is CCCc1cc2c(=O)c(-c3nc(C)cs3)c(C)oc2cc1OC(C)=O.
What is the InChIKey of [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate?
The InChIKey is NVGMNXGIQPMJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-5-6-13-7-14-16(8-15(13)24-12(4)21)23-11(3)17(18(14)22)19-20-10(2)9-25-19/h7-9H,5-6H2,1-4H3.
What are the key properties of [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate?
[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate has a molecular weight of 357.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate is sourced from PubChem (CID 984073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).