2-(4-methylthiadiazol-5-yl)sulfanylethanamine

C5H9N3S2 — CID 5151831

IUPAC2-(4-methylthiadiazol-5-yl)sulfanylethanamine
SMILESCc1nnsc1SCCN
InChIInChI=1S/C5H9N3S2/c1-4-5(9-3-2-6)10-8-7-4/h2-3,6H2,1H3
InChIKeyJNWPIAXWCIHVJL-UHFFFAOYSA-N
MW175.28 g/mol
LogP0.90
Rot. Bonds3

About 2-(4-methylthiadiazol-5-yl)sulfanylethanamine

2-(4-methylthiadiazol-5-yl)sulfanylethanamine (PubChem CID 5151831) has the molecular formula C5H9N3S2 and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-(4-methylthiadiazol-5-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-(4-methylthiadiazol-5-yl)sulfanylethanamine
PubChem CID5151831
Molecular FormulaC5H9N3S2
Molecular Weight175.28 g/mol
Exact Mass175.02
IUPAC Name2-(4-methylthiadiazol-5-yl)sulfanylethanamine
SMILESCc1nnsc1SCCN
InChIInChI=1S/C5H9N3S2/c1-4-5(9-3-2-6)10-8-7-4/h2-3,6H2,1H3
InChIKeyJNWPIAXWCIHVJL-UHFFFAOYSA-N
XLogP0.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Isopropylsulfanyl)-4-methyl-1,2,3-thiadiazole
CID 1473864
4-Methyl-5-methylsulfanylthiadiazole
CID 54281098
4-[(2-Aminoethyl)thiomethyl]-1,2,3-thiadiazole
CID 20402065
4-[(2-Aminoethyl)thiomethyl]-5-methyl-1,2,3-thiadiazole
CID 20567571
3-[(5-Methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine
CID 20567631
5-Methylsulfanyl-4-(methylsulfanylmethyl)thiadiazole
CID 141307566
5-Ethylsulfanyl-4-methylthiadiazole
CID 152955427
5-(Tert-butylsulfanyl)-4-methyl-1,2,3-thiadiazole
CID 1473865
N,N-dimethyl-2-[(4-methyl-1,2,3-thiadiazol-5-yl)sulfanyl]-1-ethanamine
CID 1475899
5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole
CID 1475912
5-[(2S)-butan-2-yl]sulfanyl-4-methylthiadiazole
CID 1475913
4-Methyl-1,2,3-thiadiazol-5-yl propyl sulfide
CID 3695660

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiadiazol-5-yl)sulfanylethanamine?
The IUPAC name of 2-(4-methylthiadiazol-5-yl)sulfanylethanamine (CID 5151831) is 2-(4-methylthiadiazol-5-yl)sulfanylethanamine.
What is the SMILES notation for 2-(4-methylthiadiazol-5-yl)sulfanylethanamine?
The canonical SMILES for 2-(4-methylthiadiazol-5-yl)sulfanylethanamine is Cc1nnsc1SCCN.
What is the InChIKey of 2-(4-methylthiadiazol-5-yl)sulfanylethanamine?
The InChIKey is JNWPIAXWCIHVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S2/c1-4-5(9-3-2-6)10-8-7-4/h2-3,6H2,1H3.
What are the key properties of 2-(4-methylthiadiazol-5-yl)sulfanylethanamine?
2-(4-methylthiadiazol-5-yl)sulfanylethanamine has a molecular weight of 175.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiadiazol-5-yl)sulfanylethanamine is sourced from PubChem (CID 5151831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).