6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one

C17H16N2O3S — CID 4893084

IUPAC6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
SMILESCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1nccs1)CO3
InChIInChI=1S/C17H16N2O3S/c1-3-11-7-14(20)22-16-10(2)15-12(6-13(11)16)8-19(9-21-15)17-18-4-5-23-17/h4-7H,3,8-9H2,1-2H3
InChIKeySQTFBQADAYXUJD-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.48
Rot. Bonds2

About 6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one

6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one (PubChem CID 4893084) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one.

Molecular Properties

Compound Name6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
PubChem CID4893084
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
SMILESCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1nccs1)CO3
InChIInChI=1S/C17H16N2O3S/c1-3-11-7-14(20)22-16-10(2)15-12(6-13(11)16)8-19(9-21-15)17-18-4-5-23-17/h4-7H,3,8-9H2,1-2H3
InChIKeySQTFBQADAYXUJD-UHFFFAOYSA-N
XLogP3.48
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one with MolForge

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

Launch Full Analysis

Related Compounds

4-ethyl-9-(1,3-thiazol-2-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 4894986
3-(3,5-dimethylphenyl)-10-methyl-6-propyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 2040721
6-butyl-3-(2-fluorophenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 3785507
6-butyl-3-(2,4-dibromophenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 3773508
6-butyl-3-[(3,4-dichlorophenyl)methyl]-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 3692037
6,7-dimethyl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]chromen-2-one
CID 18136600
6-chloro-9-(4-ethoxyphenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 3721926
6-chloro-9-(3-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 3769534
3-[(2-chlorophenyl)methyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4913843
3-[(2-methoxyphenyl)methyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4913865
3-[(3-chlorophenyl)methyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4913845
methyl 2-(6-chloro-4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoate
CID 3814913

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The IUPAC name of 6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one (CID 4893084) is 6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one.
What is the SMILES notation for 6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The canonical SMILES for 6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one is CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1nccs1)CO3.
What is the InChIKey of 6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The InChIKey is SQTFBQADAYXUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-3-11-7-14(20)22-16-10(2)15-12(6-13(11)16)8-19(9-21-15)17-18-4-5-23-17/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one has a molecular weight of 328.39 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one is sourced from PubChem (CID 4893084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).