2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide

C18H15F3N2O3S — CID 11545704

IUPAC2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide
SMILESCC(C(=O)N[C@H]1NC(C(F)(F)F)=CS1)c1cccc(C(=O)c2ccco2)c1
InChIInChI=1S/C18H15F3N2O3S/c1-10(16(25)23-17-22-14(9-27-17)18(19,20)21)11-4-2-5-12(8-11)15(24)13-6-3-7-26-13/h2-10,17,22H,1H3,(H,23,25)/t10?,17-/m1/s1
InChIKeyBIQJJQKMYWJPNC-NPMYUJNRSA-N
MW396.39 g/mol
LogP3.75
Rot. Bonds5

About 2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide

2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide (PubChem CID 11545704) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide
PubChem CID11545704
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC Name2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide
SMILESCC(C(=O)N[C@H]1NC(C(F)(F)F)=CS1)c1cccc(C(=O)c2ccco2)c1
InChIInChI=1S/C18H15F3N2O3S/c1-10(16(25)23-17-22-14(9-27-17)18(19,20)21)11-4-2-5-12(8-11)15(24)13-6-3-7-26-13/h2-10,17,22H,1H3,(H,23,25)/t10?,17-/m1/s1
InChIKeyBIQJJQKMYWJPNC-NPMYUJNRSA-N
XLogP3.75
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide
CID 143242984
furan-2-yl-(3-propan-2-yloxyphenyl)methanone
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2-(3-aminophenyl)-N-cyclopropylpropanamide
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N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51150523
3-[7-[[4-[3-(furan-2-carbonyl)phenyl]-2-methyl-3-oxopentan-2-yl]amino]-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid
CID 20871450
(2S)-N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-(3-benzoylphenyl)propanamide
CID 46213430
2-(3-benzoylphenyl)-N-(cyclohexylmethyl)propanamide
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(2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide (CID 11545704) is 2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide is CC(C(=O)N[C@H]1NC(C(F)(F)F)=CS1)c1cccc(C(=O)c2ccco2)c1.
What is the InChIKey of 2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide?
The InChIKey is BIQJJQKMYWJPNC-NPMYUJNRSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c1-10(16(25)23-17-22-14(9-27-17)18(19,20)21)11-4-2-5-12(8-11)15(24)13-6-3-7-26-13/h2-10,17,22H,1H3,(H,23,25)/t10?,17-/m1/s1.
What are the key properties of 2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide?
2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide has a molecular weight of 396.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 11545704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).