N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide

C13H16N4O3S — CID 51154431

IUPACN-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCc1nnc(NC(=O)C(NC(=O)c2ccco2)C(C)C)s1
InChIInChI=1S/C13H16N4O3S/c1-7(2)10(14-11(18)9-5-4-6-20-9)12(19)15-13-17-16-8(3)21-13/h4-7,10H,1-3H3,(H,14,18)(H,15,17,19)
InChIKeySFOYRORCUFGUCU-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.83
Rot. Bonds5

About N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide

N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 51154431) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID51154431
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCc1nnc(NC(=O)C(NC(=O)c2ccco2)C(C)C)s1
InChIInChI=1S/C13H16N4O3S/c1-7(2)10(14-11(18)9-5-4-6-20-9)12(19)15-13-17-16-8(3)21-13/h4-7,10H,1-3H3,(H,14,18)(H,15,17,19)
InChIKeySFOYRORCUFGUCU-UHFFFAOYSA-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 ≤ 500308.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-(2,5-dimethylanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138220
N-[(2R)-3-methyl-1-oxo-1-(1H-1,2,4-triazol-5-ylamino)butan-2-yl]furan-2-carboxamide
CID 30866106
N-[(2S)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 42146299
N-[(2S,3S)-1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]furan-2-carboxamide
CID 7411771
N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94795898
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 44782479
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[1-(3-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78783328
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002051
N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide
CID 51079271
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide (CID 51154431) is N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide is Cc1nnc(NC(=O)C(NC(=O)c2ccco2)C(C)C)s1.
What is the InChIKey of N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is SFOYRORCUFGUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-7(2)10(14-11(18)9-5-4-6-20-9)12(19)15-13-17-16-8(3)21-13/h4-7,10H,1-3H3,(H,14,18)(H,15,17,19).
What are the key properties of N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide?
N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 308.36 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-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51154431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).