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

C10H13ClN4O3S — CID 120984842

IUPAC2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1nnc(-c2ccco2)s1.Cl
InChIInChI=1S/C10H12N4O3S.ClH/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);1H
InChIKeyVZZDAFQTOFNJGI-UHFFFAOYSA-N
MW304.76 g/mol
LogP1.13
Rot. Bonds5

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

2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride (PubChem CID 120984842) has the molecular formula C10H13ClN4O3S and a molecular weight of 304.76 g/mol. Its IUPAC name is 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride
PubChem CID120984842
Molecular FormulaC10H13ClN4O3S
Molecular Weight304.76 g/mol
Exact Mass304.04
IUPAC Name2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1nnc(-c2ccco2)s1.Cl
InChIInChI=1S/C10H12N4O3S.ClH/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);1H
InChIKeyVZZDAFQTOFNJGI-UHFFFAOYSA-N
XLogP1.13
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 51.13
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
CID 120984843
[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea
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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;hydrochloride?
The IUPAC name of 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride (CID 120984842) is 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)Nc1nnc(-c2ccco2)s1.Cl.
What is the InChIKey of 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride?
The InChIKey is VZZDAFQTOFNJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S.ClH/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);1H.
What are the key properties of 2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride has a molecular weight of 304.76 g/mol, XLogP of 1.13, 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;hydrochloride is sourced from PubChem (CID 120984842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).