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

C16H13F2N3OS — CID 134175294

IUPAC4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
SMILESCc1cc(-c2nc(C3CC3)cs2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C16H13F2N3OS/c1-8-4-10(15-21-12(7-23-15)9-2-3-9)14-11(5-8)20-13(6-19-14)22-16(17)18/h4-7,9,16H,2-3H2,1H3
InChIKeyFAGGJNLCKCDAEH-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.54
Rot. Bonds4

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

4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole (PubChem CID 134175294) has the molecular formula C16H13F2N3OS and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
PubChem CID134175294
Molecular FormulaC16H13F2N3OS
Molecular Weight333.36 g/mol
Exact Mass333.07
IUPAC Name4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
SMILESCc1cc(-c2nc(C3CC3)cs2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C16H13F2N3OS/c1-8-4-10(15-21-12(7-23-15)9-2-3-9)14-11(5-8)20-13(6-19-14)22-16(17)18/h4-7,9,16H,2-3H2,1H3
InChIKeyFAGGJNLCKCDAEH-UHFFFAOYSA-N
XLogP4.54
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole (CID 134175294) is 4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole is Cc1cc(-c2nc(C3CC3)cs2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The InChIKey is FAGGJNLCKCDAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3OS/c1-8-4-10(15-21-12(7-23-15)9-2-3-9)14-11(5-8)20-13(6-19-14)22-16(17)18/h4-7,9,16H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole has a molecular weight of 333.36 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole is sourced from PubChem (CID 134175294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).