N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide

C19H21F2N3O2S — CID 71842225

IUPACN-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C19H21F2N3O2S/c1-2-16(25)22-10-13-11-27-18(23-13)12-6-8-24(9-7-12)19(26)17-14(20)4-3-5-15(17)21/h3-5,11-12H,2,6-10H2,1H3,(H,22,25)
InChIKeyGUXBIWUKVGCEGV-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.47
Rot. Bonds5

About N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide

N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 71842225) has the molecular formula C19H21F2N3O2S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID71842225
Molecular FormulaC19H21F2N3O2S
Molecular Weight393.46 g/mol
Exact Mass393.13
IUPAC NameN-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C19H21F2N3O2S/c1-2-16(25)22-10-13-11-27-18(23-13)12-6-8-24(9-7-12)19(26)17-14(20)4-3-5-15(17)21/h3-5,11-12H,2,6-10H2,1H3,(H,22,25)
InChIKeyGUXBIWUKVGCEGV-UHFFFAOYSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[1-(3-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 71842221
N-[2-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841895
N-[[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71842190
N-[[2-[(3R)-1-(2,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 95097122
N-[2-[2-[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097266
N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841902
N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841940
N-tert-butyl-4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 71841869
N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 71842151
N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841888
N-cyclopentyl-4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 71841862
N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 71841986

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide (CID 71842225) is N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide is CCC(=O)NCc1csc(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1.
What is the InChIKey of N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is GUXBIWUKVGCEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2S/c1-2-16(25)22-10-13-11-27-18(23-13)12-6-8-24(9-7-12)19(26)17-14(20)4-3-5-15(17)21/h3-5,11-12H,2,6-10H2,1H3,(H,22,25).
What are the key properties of N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 393.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 71842225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).