2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid

C14H9F2N3O3S — CID 134175506

IUPAC2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)cs2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C14H9F2N3O3S/c1-6-2-7(12-19-9(5-23-12)13(20)21)11-8(3-6)18-10(4-17-11)22-14(15)16/h2-5,14H,1H3,(H,20,21)
InChIKeySYVXBIQNVUKTHO-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.36
Rot. Bonds4

About 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid

2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 134175506) has the molecular formula C14H9F2N3O3S and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID134175506
Molecular FormulaC14H9F2N3O3S
Molecular Weight337.31 g/mol
Exact Mass337.03
IUPAC Name2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)cs2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C14H9F2N3O3S/c1-6-2-7(12-19-9(5-23-12)13(20)21)11-8(3-6)18-10(4-17-11)22-14(15)16/h2-5,14H,1H3,(H,20,21)
InChIKeySYVXBIQNVUKTHO-UHFFFAOYSA-N
XLogP3.36
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid (CID 134175506) is 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid is Cc1cc(-c2nc(C(=O)O)cs2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is SYVXBIQNVUKTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O3S/c1-6-2-7(12-19-9(5-23-12)13(20)21)11-8(3-6)18-10(4-17-11)22-14(15)16/h2-5,14H,1H3,(H,20,21).
What are the key properties of 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid?
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 337.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 134175506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).