2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C23H22FN3O3S — CID 93305874

IUPAC2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1F
InChIInChI=1S/C23H22FN3O3S/c24-20-10-4-3-9-19(20)22(29)26-23-27(11-13-31-23)15-16-6-1-2-8-18(16)21(28)25-14-17-7-5-12-30-17/h1-4,6,8-11,13,17H,5,7,12,14-15H2,(H,25,28)/b26-23-/t17-/m1/s1
InChIKeyKZYLRKGLFFXSTE-PIHGLKBESA-N
MW439.51 g/mol
LogP3.39
Rot. Bonds6

About 2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 93305874) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID93305874
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC Name2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1F
InChIInChI=1S/C23H22FN3O3S/c24-20-10-4-3-9-19(20)22(29)26-23-27(11-13-31-23)15-16-6-1-2-8-18(16)21(28)25-14-17-7-5-12-30-17/h1-4,6,8-11,13,17H,5,7,12,14-15H2,(H,25,28)/b26-23-/t17-/m1/s1
InChIKeyKZYLRKGLFFXSTE-PIHGLKBESA-N
XLogP3.39
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide
CID 93305928
N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide
CID 51067395
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide
CID 55718292
2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 5312085
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843734
N-[(2-fluorophenyl)methyl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92760923
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327610
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 93305874) is 2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(/N=c1\sccn1Cc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is KZYLRKGLFFXSTE-PIHGLKBESA-N. The full InChI is InChI=1S/C23H22FN3O3S/c24-20-10-4-3-9-19(20)22(29)26-23-27(11-13-31-23)15-16-6-1-2-8-18(16)21(28)25-14-17-7-5-12-30-17/h1-4,6,8-11,13,17H,5,7,12,14-15H2,(H,25,28)/b26-23-/t17-/m1/s1.
What are the key properties of 2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 439.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 93305874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).