3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide

C36H34F6N8O6S2 — CID 130221926

IUPAC3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide
SMILESCO[C@H](Cc1cc(C(F)(F)F)oc1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)N(C)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1F
InChIInChI=1S/C36H34F6N8O6S2/c1-49(16-24-18-57-34(45-24)47-32(53)43-14-19-6-4-8-22(37)10-19)31(52)28-21(13-27(56-28)36(40,41)42)12-26(55-3)30(51)50(2)17-25-29(39)58-35(46-25)48-33(54)44-15-20-7-5-9-23(38)11-20/h4-11,13,18,26H,12,14-17H2,1-3H3,(H2,43,45,47,53)(H2,44,46,48,54)/t26-/m1/s1
InChIKeyLGJNMEQNVCBPKI-AREMUKBSSA-N
MW852.84 g/mol
LogP6.76
Rot. Bonds15

About 3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide

3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide (PubChem CID 130221926) has the molecular formula C36H34F6N8O6S2 and a molecular weight of 852.84 g/mol. Its IUPAC name is 3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide
PubChem CID130221926
Molecular FormulaC36H34F6N8O6S2
Molecular Weight852.84 g/mol
Exact Mass852.19
IUPAC Name3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide
SMILESCO[C@H](Cc1cc(C(F)(F)F)oc1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)N(C)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1F
InChIInChI=1S/C36H34F6N8O6S2/c1-49(16-24-18-57-34(45-24)47-32(53)43-14-19-6-4-8-22(37)10-19)31(52)28-21(13-27(56-28)36(40,41)42)12-26(55-3)30(51)50(2)17-25-29(39)58-35(46-25)48-33(54)44-15-20-7-5-9-23(38)11-20/h4-11,13,18,26H,12,14-17H2,1-3H3,(H2,43,45,47,53)(H2,44,46,48,54)/t26-/m1/s1
InChIKeyLGJNMEQNVCBPKI-AREMUKBSSA-N
XLogP6.76
TPSA171.03 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.84
LogP ≤ 56.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide with MolForge

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Related Compounds

N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 87095002
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide
CID 25206964
(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide
CID 66663018
N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-2-methoxy-N-methylpropanamide
CID 66663019
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 25206797
3-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-6-methoxy-N-methylpyridazine-4-carboxamide
CID 86661317
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 25206308
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide
CID 87095233
6-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-methylpyridazine-4-carboxamide
CID 86661325
4-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpyrazole-5-carboxamide
CID 87095221
1-[(3-fluorophenyl)methyl]-3-[4-[[[3-(2-hydroxyethyl)-1,2-oxazol-4-yl]methyl-methylamino]methyl]-1,3-thiazol-2-yl]urea
CID 87755331
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcyclopentanecarboxamide
CID 87095190

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide?
The IUPAC name of 3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide (CID 130221926) is 3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide.
What is the SMILES notation for 3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide?
The canonical SMILES for 3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide is CO[C@H](Cc1cc(C(F)(F)F)oc1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)N(C)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1F.
What is the InChIKey of 3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide?
The InChIKey is LGJNMEQNVCBPKI-AREMUKBSSA-N. The full InChI is InChI=1S/C36H34F6N8O6S2/c1-49(16-24-18-57-34(45-24)47-32(53)43-14-19-6-4-8-22(37)10-19)31(52)28-21(13-27(56-28)36(40,41)42)12-26(55-3)30(51)50(2)17-25-29(39)58-35(46-25)48-33(54)44-15-20-7-5-9-23(38)11-20/h4-11,13,18,26H,12,14-17H2,1-3H3,(H2,43,45,47,53)(H2,44,46,48,54)/t26-/m1/s1.
What are the key properties of 3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide?
3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide has a molecular weight of 852.84 g/mol, XLogP of 6.76, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl-methylamino]-2-methoxy-3-oxopropyl]-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-5-(trifluoromethyl)furan-2-carboxamide is sourced from PubChem (CID 130221926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).