N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide

C19H20ClFN4OS — CID 70251047

IUPACN-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide
SMILESCc1nsc(NC(=O)C(F)c2ccc3nc(CC(C)(C)C)cnc3c2)c1Cl
InChIInChI=1S/C19H20ClFN4OS/c1-10-15(20)18(27-25-10)24-17(26)16(21)11-5-6-13-14(7-11)22-9-12(23-13)8-19(2,3)4/h5-7,9,16H,8H2,1-4H3,(H,24,26)
InChIKeyXHQBBQCGEZYYQO-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.29
Rot. Bonds4

About N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide

N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide (PubChem CID 70251047) has the molecular formula C19H20ClFN4OS and a molecular weight of 406.91 g/mol. Its IUPAC name is N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide
PubChem CID70251047
Molecular FormulaC19H20ClFN4OS
Molecular Weight406.91 g/mol
Exact Mass406.10
IUPAC NameN-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide
SMILESCc1nsc(NC(=O)C(F)c2ccc3nc(CC(C)(C)C)cnc3c2)c1Cl
InChIInChI=1S/C19H20ClFN4OS/c1-10-15(20)18(27-25-10)24-17(26)16(21)11-5-6-13-14(7-11)22-9-12(23-13)8-19(2,3)4/h5-7,9,16H,8H2,1-4H3,(H,24,26)
InChIKeyXHQBBQCGEZYYQO-UHFFFAOYSA-N
XLogP5.29
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide?
The IUPAC name of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide (CID 70251047) is N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide.
What is the SMILES notation for N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide?
The canonical SMILES for N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide is Cc1nsc(NC(=O)C(F)c2ccc3nc(CC(C)(C)C)cnc3c2)c1Cl.
What is the InChIKey of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide?
The InChIKey is XHQBBQCGEZYYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4OS/c1-10-15(20)18(27-25-10)24-17(26)16(21)11-5-6-13-14(7-11)22-9-12(23-13)8-19(2,3)4/h5-7,9,16H,8H2,1-4H3,(H,24,26).
What are the key properties of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide?
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide has a molecular weight of 406.91 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide is sourced from PubChem (CID 70251047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).