2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide

C19H20F3N3O2S — CID 161020207

IUPAC2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(C(F)(F)C(=O)N3CCC(C)CC3)s2)ccc1F
InChIInChI=1S/C19H20F3N3O2S/c1-11-5-7-25(8-6-11)18(27)19(21,22)17-23-10-15(28-17)16(26)24-13-3-4-14(20)12(2)9-13/h3-4,9-11H,5-8H2,1-2H3,(H,24,26)
InChIKeyYDQFNQAOVFYXMQ-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.19
Rot. Bonds4

About 2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide

2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 161020207) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID161020207
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC Name2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(C(F)(F)C(=O)N3CCC(C)CC3)s2)ccc1F
InChIInChI=1S/C19H20F3N3O2S/c1-11-5-7-25(8-6-11)18(27)19(21,22)17-23-10-15(28-17)16(26)24-13-3-4-14(20)12(2)9-13/h3-4,9-11H,5-8H2,1-2H3,(H,24,26)
InChIKeyYDQFNQAOVFYXMQ-UHFFFAOYSA-N
XLogP4.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 161020207) is 2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1cc(NC(=O)c2cnc(C(F)(F)C(=O)N3CCC(C)CC3)s2)ccc1F.
What is the InChIKey of 2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YDQFNQAOVFYXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c1-11-5-7-25(8-6-11)18(27)19(21,22)17-23-10-15(28-17)16(26)24-13-3-4-14(20)12(2)9-13/h3-4,9-11H,5-8H2,1-2H3,(H,24,26).
What are the key properties of 2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide?
2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 411.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 161020207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).