2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol

C4H7N3S2 — CID 174250780

IUPAC2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol
SMILESNc1nc(CCS)ns1
InChIInChI=1S/C4H7N3S2/c5-4-6-3(1-2-8)7-9-4/h8H,1-2H2,(H2,5,6,7)
InChIKeyYVWDHITYLMSKJT-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.59
Rot. Bonds2

About 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol

2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol (PubChem CID 174250780) has the molecular formula C4H7N3S2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol.

Molecular Properties

Compound Name2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol
PubChem CID174250780
Molecular FormulaC4H7N3S2
Molecular Weight161.25 g/mol
Exact Mass161.01
IUPAC Name2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol
SMILESNc1nc(CCS)ns1
InChIInChI=1S/C4H7N3S2/c5-4-6-3(1-2-8)7-9-4/h8H,1-2H2,(H2,5,6,7)
InChIKeyYVWDHITYLMSKJT-UHFFFAOYSA-N
XLogP0.59
TPSA51.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(Propan-2-yl)-1,2,4-thiadiazol-5-amine
CID 581957
3-Propyl-1,2,4-thiadiazol-5-amine
CID 575489
5-Amino-3-ethyl-1,2,4-thiadiazole
CID 2756430
3-(1-Fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 174597237
3-(2,2,2-Trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 61392887
3-(Methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 62691499
2-(5-Amino-1,2,4-thiadiazol-3-yl)ethanethial
CID 19860494
2-(5-Methyl-1,2,4-thiadiazol-3-yl)ethanethial
CID 54034921
2-(3-Methyl-1,2,4-thiadiazol-5-yl)ethanethial
CID 54537904
5-Amino-1,2,4-thiadiazole-3-carbothialdehyde
CID 54572132
1-(5-Chloro-1,2,4-thiadiazol-3-yl)ethanethiol
CID 89289992
1-(5-Propan-2-yl-1,2,4-thiadiazol-3-yl)ethanethiol
CID 139359275

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol?
The IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol (CID 174250780) is 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol.
What is the SMILES notation for 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol?
The canonical SMILES for 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol is Nc1nc(CCS)ns1.
What is the InChIKey of 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol?
The InChIKey is YVWDHITYLMSKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S2/c5-4-6-3(1-2-8)7-9-4/h8H,1-2H2,(H2,5,6,7).
What are the key properties of 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol?
2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol has a molecular weight of 161.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2,4-thiadiazol-3-yl)ethanethiol is sourced from PubChem (CID 174250780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).