3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C14H17N3O2S — CID 94016882

IUPAC3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)s1
InChIInChI=1S/C14H17N3O2S/c1-8-7-11(8)12-5-3-10(19-12)4-6-13(18)15-14-17-16-9(2)20-14/h3,5,8,11H,4,6-7H2,1-2H3,(H,15,17,18)/t8-,11-/m0/s1
InChIKeySNQYVOGBCAZRDA-KWQFWETISA-N
MW291.38 g/mol
LogP3.13
Rot. Bonds5

About 3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 94016882) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID94016882
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)s1
InChIInChI=1S/C14H17N3O2S/c1-8-7-11(8)12-5-3-10(19-12)4-6-13(18)15-14-17-16-9(2)20-14/h3,5,8,11H,4,6-7H2,1-2H3,(H,15,17,18)/t8-,11-/m0/s1
InChIKeySNQYVOGBCAZRDA-KWQFWETISA-N
XLogP3.13
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94017153
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 47014181
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 25340721
3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 25340722
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 1163808
N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94502622
4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide
CID 56812725
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 95932644
N-butan-2-yl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 47014175
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55463115
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 83097528

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 94016882) is 3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)s1.
What is the InChIKey of 3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is SNQYVOGBCAZRDA-KWQFWETISA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-7-11(8)12-5-3-10(19-12)4-6-13(18)15-14-17-16-9(2)20-14/h3,5,8,11H,4,6-7H2,1-2H3,(H,15,17,18)/t8-,11-/m0/s1.
What are the key properties of 3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 291.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 94016882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).