2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide

C19H24F2N4O2S — CID 8767682

IUPAC2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide
SMILESCC(=O)N(c1nc(CN(C)CC(=O)NC(C)(C)C)cs1)c1ccc(F)cc1F
InChIInChI=1S/C19H24F2N4O2S/c1-12(26)25(16-7-6-13(20)8-15(16)21)18-22-14(11-28-18)9-24(5)10-17(27)23-19(2,3)4/h6-8,11H,9-10H2,1-5H3,(H,23,27)
InChIKeyQUMUJJZLCKNCDJ-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.45
Rot. Bonds6

About 2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide

2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide (PubChem CID 8767682) has the molecular formula C19H24F2N4O2S and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide
PubChem CID8767682
Molecular FormulaC19H24F2N4O2S
Molecular Weight410.49 g/mol
Exact Mass410.16
IUPAC Name2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide
SMILESCC(=O)N(c1nc(CN(C)CC(=O)NC(C)(C)C)cs1)c1ccc(F)cc1F
InChIInChI=1S/C19H24F2N4O2S/c1-12(26)25(16-7-6-13(20)8-15(16)21)18-22-14(11-28-18)9-24(5)10-17(27)23-19(2,3)4/h6-8,11H,9-10H2,1-5H3,(H,23,27)
InChIKeyQUMUJJZLCKNCDJ-UHFFFAOYSA-N
XLogP3.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide (CID 8767682) is 2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide is CC(=O)N(c1nc(CN(C)CC(=O)NC(C)(C)C)cs1)c1ccc(F)cc1F.
What is the InChIKey of 2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide?
The InChIKey is QUMUJJZLCKNCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2S/c1-12(26)25(16-7-6-13(20)8-15(16)21)18-22-14(11-28-18)9-24(5)10-17(27)23-19(2,3)4/h6-8,11H,9-10H2,1-5H3,(H,23,27).
What are the key properties of 2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide?
2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide has a molecular weight of 410.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 8767682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).