N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C18H14F3N3O4S — CID 42208460

IUPACN-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(CCc1csc(NC(=O)c2ccco2)n1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O4S/c19-18(20,21)28-13-6-3-11(4-7-13)22-15(25)8-5-12-10-29-17(23-12)24-16(26)14-2-1-9-27-14/h1-4,6-7,9-10H,5,8H2,(H,22,25)(H,23,24,26)
InChIKeySCMFNADBXPSHGK-UHFFFAOYSA-N
MW425.39 g/mol
LogP4.46
Rot. Bonds7

About N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 42208460) has the molecular formula C18H14F3N3O4S and a molecular weight of 425.39 g/mol. Its IUPAC name is N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID42208460
Molecular FormulaC18H14F3N3O4S
Molecular Weight425.39 g/mol
Exact Mass425.07
IUPAC NameN-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(CCc1csc(NC(=O)c2ccco2)n1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O4S/c19-18(20,21)28-13-6-3-11(4-7-13)22-15(25)8-5-12-10-29-17(23-12)24-16(26)14-2-1-9-27-14/h1-4,6-7,9-10H,5,8H2,(H,22,25)(H,23,24,26)
InChIKeySCMFNADBXPSHGK-UHFFFAOYSA-N
XLogP4.46
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 42208461
N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208479
N-[4-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208778
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208452
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
2-(3-phenylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 84551102
N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55908856
4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656079
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208780
N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27256446
N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26927396

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 42208460) is N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(CCc1csc(NC(=O)c2ccco2)n1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is SCMFNADBXPSHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4S/c19-18(20,21)28-13-6-3-11(4-7-13)22-15(25)8-5-12-10-29-17(23-12)24-16(26)14-2-1-9-27-14/h1-4,6-7,9-10H,5,8H2,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 425.39 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42208460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).