N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

C11H10F2N4O3S — CID 94795898

IUPACN-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C11H10F2N4O3S/c1-5(14-9(19)6-3-2-4-20-6)8(18)15-11-17-16-10(21-11)7(12)13/h2-5,7H,1H3,(H,14,19)(H,15,17,18)/t5-/m1/s1
InChIKeyRUEHPXSLRROXCD-RXMQYKEDSA-N
MW316.29 g/mol
LogP1.83
Rot. Bonds5

About N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 94795898) has the molecular formula C11H10F2N4O3S and a molecular weight of 316.29 g/mol. Its IUPAC name is N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID94795898
Molecular FormulaC11H10F2N4O3S
Molecular Weight316.29 g/mol
Exact Mass316.04
IUPAC NameN-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C11H10F2N4O3S/c1-5(14-9(19)6-3-2-4-20-6)8(18)15-11-17-16-10(21-11)7(12)13/h2-5,7H,1H3,(H,14,19)(H,15,17,18)/t5-/m1/s1
InChIKeyRUEHPXSLRROXCD-RXMQYKEDSA-N
XLogP1.83
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47076935
N-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47098607
N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 47739437
N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 51154431
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 7322531
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[1-oxo-1-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]furan-2-carboxamide
CID 42942421
N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 112768087
N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 42146259
N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24539621
N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide
CID 51299441

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 94795898) is N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nnc(C(F)F)s1.
What is the InChIKey of N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is RUEHPXSLRROXCD-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H10F2N4O3S/c1-5(14-9(19)6-3-2-4-20-6)8(18)15-11-17-16-10(21-11)7(12)13/h2-5,7H,1H3,(H,14,19)(H,15,17,18)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 316.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 94795898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).