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

C10H12N4O3S — CID 120984843

IUPAC2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C10H12N4O3S/c1-16-5-6(11)8(15)12-10-14-13-9(18-10)7-3-2-4-17-7/h2-4,6H,5,11H2,1H3,(H,12,14,15)
InChIKeyFVDUJQNPOAKZPY-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.71
Rot. Bonds5

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

2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide (PubChem CID 120984843) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
PubChem CID120984843
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C10H12N4O3S/c1-16-5-6(11)8(15)12-10-14-13-9(18-10)7-3-2-4-17-7/h2-4,6H,5,11H2,1H3,(H,12,14,15)
InChIKeyFVDUJQNPOAKZPY-UHFFFAOYSA-N
XLogP0.71
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120984842
[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea
CID 71374888
2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 120987607
2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 120989314
2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 120989341
2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 81081342
1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(1,1,1-trifluoro-2-hydroxypentan-3-yl)urea
CID 155945789
1-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 167881159
3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17418656
2-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120984436
2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 120984258
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
CID 810799

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide (CID 120984843) is 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide is COCC(N)C(=O)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide?
The InChIKey is FVDUJQNPOAKZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-16-5-6(11)8(15)12-10-14-13-9(18-10)7-3-2-4-17-7/h2-4,6H,5,11H2,1H3,(H,12,14,15).
What are the key properties of 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide?
2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide has a molecular weight of 268.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide is sourced from PubChem (CID 120984843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).