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

C19H19F2N3OS — CID 134175295

IUPAC5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
SMILESCc1cc(-c2ncc(C3CCCCC3)s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C19H19F2N3OS/c1-11-7-13(17-14(8-11)24-16(10-22-17)25-19(20)21)18-23-9-15(26-18)12-5-3-2-4-6-12/h7-10,12,19H,2-6H2,1H3
InChIKeyGCGWCTZFJFFJGW-UHFFFAOYSA-N
MW375.44 g/mol
LogP5.71
Rot. Bonds4

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

5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole (PubChem CID 134175295) has the molecular formula C19H19F2N3OS and a molecular weight of 375.44 g/mol. Its IUPAC name is 5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
PubChem CID134175295
Molecular FormulaC19H19F2N3OS
Molecular Weight375.44 g/mol
Exact Mass375.12
IUPAC Name5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
SMILESCc1cc(-c2ncc(C3CCCCC3)s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C19H19F2N3OS/c1-11-7-13(17-14(8-11)24-16(10-22-17)25-19(20)21)18-23-9-15(26-18)12-5-3-2-4-6-12/h7-10,12,19H,2-6H2,1H3
InChIKeyGCGWCTZFJFFJGW-UHFFFAOYSA-N
XLogP5.71
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The IUPAC name of 5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole (CID 134175295) is 5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole.
What is the SMILES notation for 5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The canonical SMILES for 5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole is Cc1cc(-c2ncc(C3CCCCC3)s2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
The InChIKey is GCGWCTZFJFFJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3OS/c1-11-7-13(17-14(8-11)24-16(10-22-17)25-19(20)21)18-23-9-15(26-18)12-5-3-2-4-6-12/h7-10,12,19H,2-6H2,1H3.
What are the key properties of 5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole?
5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole has a molecular weight of 375.44 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole is sourced from PubChem (CID 134175295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).