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

C14H10F2N4O3S2 — CID 47739437

IUPACN-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C14H10F2N4O3S2/c1-6-5-8(17-11(21)7-3-2-4-23-7)24-9(6)12(22)18-14-20-19-13(25-14)10(15)16/h2-5,10H,1H3,(H,17,21)(H,18,20,22)
InChIKeyFZZHAHUQBNDPDG-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.94
Rot. Bonds5

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

N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 47739437) has the molecular formula C14H10F2N4O3S2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID47739437
Molecular FormulaC14H10F2N4O3S2
Molecular Weight384.39 g/mol
Exact Mass384.02
IUPAC NameN-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C14H10F2N4O3S2/c1-6-5-8(17-11(21)7-3-2-4-23-7)24-9(6)12(22)18-14-20-19-13(25-14)10(15)16/h2-5,10H,1H3,(H,17,21)(H,18,20,22)
InChIKeyFZZHAHUQBNDPDG-UHFFFAOYSA-N
XLogP3.94
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34112240
N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94795898
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 26011625
(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55495739
N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 7322531
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
N-[5-[(1-amino-2-methylpropan-2-yl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 119522920
N-[5-[[4-(cyanomethyl)phenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 35708139
N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 51297207

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 47739437) is N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nnc(C(F)F)s1.
What is the InChIKey of N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is FZZHAHUQBNDPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O3S2/c1-6-5-8(17-11(21)7-3-2-4-23-7)24-9(6)12(22)18-14-20-19-13(25-14)10(15)16/h2-5,10H,1H3,(H,17,21)(H,18,20,22).
What are the key properties of N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 47739437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).