N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C19H15F2N3O2S — CID 26841885

IUPACN-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1c(F)cccc1F
InChIInChI=1S/C19H15F2N3O2S/c20-15-7-4-8-16(21)14(15)10-22-17(25)9-13-11-27-19(23-13)24-18(26)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,22,25)(H,23,24,26)
InChIKeyZSCDZOVPKHFOQF-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.53
Rot. Bonds6

About N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 26841885) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID26841885
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC NameN-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1c(F)cccc1F
InChIInChI=1S/C19H15F2N3O2S/c20-15-7-4-8-16(21)14(15)10-22-17(25)9-13-11-27-19(23-13)24-18(26)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,22,25)(H,23,24,26)
InChIKeyZSCDZOVPKHFOQF-UHFFFAOYSA-N
XLogP3.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 27396769
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 39192369
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567903
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-(2-naphthalen-1-yloxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 60526142
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
CID 73338936
N-[4-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 36890466
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 18282128
2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 56557619

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 26841885) is N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1c(F)cccc1F.
What is the InChIKey of N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZSCDZOVPKHFOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c20-15-7-4-8-16(21)14(15)10-22-17(25)9-13-11-27-19(23-13)24-18(26)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 387.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 26841885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).