2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide

C18H20F2N4O2S — CID 134051932

IUPAC2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C18H20F2N4O2S/c19-12-4-5-14(15(20)8-12)17(26)21-9-16(25)23-18-22-13(11-27-18)10-24-6-2-1-3-7-24/h4-5,8,11H,1-3,6-7,9-10H2,(H,21,26)(H,22,23,25)
InChIKeyOOHLHICYYSXVDA-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.78
Rot. Bonds6

About 2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide (PubChem CID 134051932) has the molecular formula C18H20F2N4O2S and a molecular weight of 394.45 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
PubChem CID134051932
Molecular FormulaC18H20F2N4O2S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC Name2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C18H20F2N4O2S/c19-12-4-5-14(15(20)8-12)17(26)21-9-16(25)23-18-22-13(11-27-18)10-24-6-2-1-3-7-24/h4-5,8,11H,1-3,6-7,9-10H2,(H,21,26)(H,22,23,25)
InChIKeyOOHLHICYYSXVDA-UHFFFAOYSA-N
XLogP2.78
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 154737418
2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 55494609
2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 25489845
5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 55996813
2-methyl-N-[2-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 46525050
3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 30183181
2-methyl-N-[2-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-3-carboxamide
CID 87012891
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24597218
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 30182915

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide (CID 134051932) is 2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1F)Nc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The InChIKey is OOHLHICYYSXVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2S/c19-12-4-5-14(15(20)8-12)17(26)21-9-16(25)23-18-22-13(11-27-18)10-24-6-2-1-3-7-24/h4-5,8,11H,1-3,6-7,9-10H2,(H,21,26)(H,22,23,25).
What are the key properties of 2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide?
2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide has a molecular weight of 394.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 134051932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).