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

C14H20N4OS2 — CID 64610267

IUPAC5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(C)cc1C(N)CSc1nnc(N(C)C)s1
InChIInChI=1S/C14H20N4OS2/c1-9-5-6-12(19-4)10(7-9)11(15)8-20-14-17-16-13(21-14)18(2)3/h5-7,11H,8,15H2,1-4H3
InChIKeyDVQOWQYJVQBWPY-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.71
Rot. Bonds6

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

5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 64610267) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID64610267
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(C)cc1C(N)CSc1nnc(N(C)C)s1
InChIInChI=1S/C14H20N4OS2/c1-9-5-6-12(19-4)10(7-9)11(15)8-20-14-17-16-13(21-14)18(2)3/h5-7,11H,8,15H2,1-4H3
InChIKeyDVQOWQYJVQBWPY-UHFFFAOYSA-N
XLogP2.71
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64649606
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64650203
1-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64647920
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64627842
1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 64649874
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64649533
2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64622119
5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64610673
2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64614931
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66105221

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 64610267) is 5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is COc1ccc(C)cc1C(N)CSc1nnc(N(C)C)s1.
What is the InChIKey of 5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DVQOWQYJVQBWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-9-5-6-12(19-4)10(7-9)11(15)8-20-14-17-16-13(21-14)18(2)3/h5-7,11H,8,15H2,1-4H3.
What are the key properties of 5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 324.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64610267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).