5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C14H16N4OS2 — CID 64610673

IUPAC5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCC(N)c2cc3ccccc3o2)s1
InChIInChI=1S/C14H16N4OS2/c1-18(2)13-16-17-14(21-13)20-8-10(15)12-7-9-5-3-4-6-11(9)19-12/h3-7,10H,8,15H2,1-2H3
InChIKeyHVUNVWCGCOPFHT-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.14
Rot. Bonds5

About 5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 64610673) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID64610673
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC Name5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCC(N)c2cc3ccccc3o2)s1
InChIInChI=1S/C14H16N4OS2/c1-18(2)13-16-17-14(21-13)20-8-10(15)12-7-9-5-3-4-6-11(9)19-12/h3-7,10H,8,15H2,1-2H3
InChIKeyHVUNVWCGCOPFHT-UHFFFAOYSA-N
XLogP3.14
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

1-(1-benzofuran-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64650657
1-(1-benzofuran-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 63737144
1-(1-benzofuran-2-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64626110
1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine
CID 64614485
1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine
CID 64620131
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8511819
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one
CID 122149458
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol
CID 79822181
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-(3,4-difluorophenyl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 86787875
5-[2-(2-aminophenyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737804
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 63772082

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 64610673) is 5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCC(N)c2cc3ccccc3o2)s1.
What is the InChIKey of 5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HVUNVWCGCOPFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c1-18(2)13-16-17-14(21-13)20-8-10(15)12-7-9-5-3-4-6-11(9)19-12/h3-7,10H,8,15H2,1-2H3.
What are the key properties of 5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 320.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64610673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).