N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide

C21H14F3N3O4S — CID 55851453

IUPACN-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H14F3N3O4S/c22-21(23,24)11-31-14-6-7-15-17(10-14)32-20(26-15)27-18(28)12-3-1-4-13(9-12)25-19(29)16-5-2-8-30-16/h1-10H,11H2,(H,25,29)(H,26,27,28)
InChIKeyATJBOPDFCOHZCS-UHFFFAOYSA-N
MW461.42 g/mol
LogP5.34
Rot. Bonds6

About N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide

N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55851453) has the molecular formula C21H14F3N3O4S and a molecular weight of 461.42 g/mol. Its IUPAC name is N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55851453
Molecular FormulaC21H14F3N3O4S
Molecular Weight461.42 g/mol
Exact Mass461.07
IUPAC NameN-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H14F3N3O4S/c22-21(23,24)11-31-14-6-7-15-17(10-14)32-20(26-15)27-18(28)12-3-1-4-13(9-12)25-19(29)16-5-2-8-30-16/h1-10H,11H2,(H,25,29)(H,26,27,28)
InChIKeyATJBOPDFCOHZCS-UHFFFAOYSA-N
XLogP5.34
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.42
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 9193366
N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 19213737
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094
N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127294
5,6-dichloro-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CID 55675885
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127363
1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pyrazole-4-carboxamide
CID 55655843
N-[6-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127421
ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 646260
N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide
CID 875146
3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 35994079

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide (CID 55851453) is N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ATJBOPDFCOHZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O4S/c22-21(23,24)11-31-14-6-7-15-17(10-14)32-20(26-15)27-18(28)12-3-1-4-13(9-12)25-19(29)16-5-2-8-30-16/h1-10H,11H2,(H,25,29)(H,26,27,28).
What are the key properties of N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 461.42 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55851453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).