N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide

C15H9F3N4O3S — CID 38782851

IUPACN-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C15H9F3N4O3S/c16-15(17,18)13-21-22-14(26-13)20-11(23)8-3-5-9(6-4-8)19-12(24)10-2-1-7-25-10/h1-7H,(H,19,24)(H,20,22,23)
InChIKeyILOBSJRPMZBTTE-UHFFFAOYSA-N
MW382.32 g/mol
LogP3.65
Rot. Bonds4

About N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 38782851) has the molecular formula C15H9F3N4O3S and a molecular weight of 382.32 g/mol. Its IUPAC name is N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID38782851
Molecular FormulaC15H9F3N4O3S
Molecular Weight382.32 g/mol
Exact Mass382.03
IUPAC NameN-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C15H9F3N4O3S/c16-15(17,18)13-21-22-14(26-13)20-11(23)8-3-5-9(6-4-8)19-12(24)10-2-1-7-25-10/h1-7H,(H,19,24)(H,20,22,23)
InChIKeyILOBSJRPMZBTTE-UHFFFAOYSA-N
XLogP3.65
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38783251
4-(1,3-dithiolan-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782402
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 860502
N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide
CID 56545953
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17361346
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide (CID 38782851) is N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ILOBSJRPMZBTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O3S/c16-15(17,18)13-21-22-14(26-13)20-11(23)8-3-5-9(6-4-8)19-12(24)10-2-1-7-25-10/h1-7H,(H,19,24)(H,20,22,23).
What are the key properties of N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 382.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 38782851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).