N-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C16H18F2N2O3S — CID 97237302

IUPACN-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1F
InChIInChI=1S/C16H18F2N2O3S/c1-9-8-24-16(23)20(9)7-6-13(21)19-10(2)15(22)14-11(17)4-3-5-12(14)18/h3-5,8,10,15,22H,6-7H2,1-2H3,(H,19,21)/t10-,15-/m1/s1
InChIKeyGREPQEJMWOARNI-MEBBXXQBSA-N
MW356.39 g/mol
LogP2.12
Rot. Bonds6

About N-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 97237302) has the molecular formula C16H18F2N2O3S and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID97237302
Molecular FormulaC16H18F2N2O3S
Molecular Weight356.39 g/mol
Exact Mass356.10
IUPAC NameN-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1F
InChIInChI=1S/C16H18F2N2O3S/c1-9-8-24-16(23)20(9)7-6-13(21)19-10(2)15(22)14-11(17)4-3-5-12(14)18/h3-5,8,10,15,22H,6-7H2,1-2H3,(H,19,21)/t10-,15-/m1/s1
InChIKeyGREPQEJMWOARNI-MEBBXXQBSA-N
XLogP2.12
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
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N-(1-hydroxypropan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 35943267
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 46538944
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
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N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 43287042
N-[(2R)-1-hydroxypropan-2-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 79027328
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N',N'-diphenylpropanehydrazide
CID 55436719
N-[(1S)-1-(furan-2-yl)ethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
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N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 97237302) is N-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1F.
What is the InChIKey of N-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is GREPQEJMWOARNI-MEBBXXQBSA-N. The full InChI is InChI=1S/C16H18F2N2O3S/c1-9-8-24-16(23)20(9)7-6-13(21)19-10(2)15(22)14-11(17)4-3-5-12(14)18/h3-5,8,10,15,22H,6-7H2,1-2H3,(H,19,21)/t10-,15-/m1/s1.
What are the key properties of N-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 356.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 97237302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).