2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide

C17H16N4O3S — CID 46353962

IUPAC2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESCC(Cc1ccco1)NC(=O)c1nnc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C17H16N4O3S/c1-11(10-13-8-5-9-24-13)18-14(22)16-20-21-17(25-16)15(23)19-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,22)(H,19,23)
InChIKeyLFZLOQNWROUDIO-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.74
Rot. Bonds6

About 2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide

2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide (PubChem CID 46353962) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
PubChem CID46353962
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESCC(Cc1ccco1)NC(=O)c1nnc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C17H16N4O3S/c1-11(10-13-8-5-9-24-13)18-14(22)16-20-21-17(25-16)15(23)19-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,22)(H,19,23)
InChIKeyLFZLOQNWROUDIO-UHFFFAOYSA-N
XLogP2.74
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide with MolForge

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 92872093
5-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92871484
N-(3-chlorophenyl)-5-[4-[1-(furan-2-yl)propan-2-ylamino]-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
CID 46320256
5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332461
2-anilino-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 60861599
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353927
5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46327945
1-[1-(furan-2-yl)propan-2-yl]-3-pyridin-3-ylurea
CID 47172008
1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea
CID 47171952
4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 113241873

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide?
The IUPAC name of 2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide (CID 46353962) is 2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide?
The canonical SMILES for 2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide is CC(Cc1ccco1)NC(=O)c1nnc(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide?
The InChIKey is LFZLOQNWROUDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-11(10-13-8-5-9-24-13)18-14(22)16-20-21-17(25-16)15(23)19-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide?
2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide is sourced from PubChem (CID 46353962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).