4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole

C19H15F2N3O2S — CID 139522691

IUPAC4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole
SMILESCOCc1cnc2c(-c3nc4c(F)c(F)c(OC)cc4s3)cc(C)cc2n1
InChIInChI=1S/C19H15F2N3O2S/c1-9-4-11(17-12(5-9)23-10(7-22-17)8-25-2)19-24-18-14(27-19)6-13(26-3)15(20)16(18)21/h4-7H,8H2,1-3H3
InChIKeyHNBDIKGXNUTHDX-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.65
Rot. Bonds4

About 4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole

4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole (PubChem CID 139522691) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is 4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole
PubChem CID139522691
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC Name4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole
SMILESCOCc1cnc2c(-c3nc4c(F)c(F)c(OC)cc4s3)cc(C)cc2n1
InChIInChI=1S/C19H15F2N3O2S/c1-9-4-11(17-12(5-9)23-10(7-22-17)8-25-2)19-24-18-14(27-19)6-13(26-3)15(20)16(18)21/h4-7H,8H2,1-3H3
InChIKeyHNBDIKGXNUTHDX-UHFFFAOYSA-N
XLogP4.65
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole?
The IUPAC name of 4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole (CID 139522691) is 4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole.
What is the SMILES notation for 4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole?
The canonical SMILES for 4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole is COCc1cnc2c(-c3nc4c(F)c(F)c(OC)cc4s3)cc(C)cc2n1.
What is the InChIKey of 4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole?
The InChIKey is HNBDIKGXNUTHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c1-9-4-11(17-12(5-9)23-10(7-22-17)8-25-2)19-24-18-14(27-19)6-13(26-3)15(20)16(18)21/h4-7H,8H2,1-3H3.
What are the key properties of 4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole?
4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole has a molecular weight of 387.41 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole is sourced from PubChem (CID 139522691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).