[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol

C5H9N3S2 — CID 166001509

IUPAC[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol
SMILESCCNc1nnc(CS)s1
InChIInChI=1S/C5H9N3S2/c1-2-6-5-8-7-4(3-9)10-5/h9H,2-3H2,1H3,(H,6,8)
InChIKeyDIEISUSEBHWCEE-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.40
Rot. Bonds3

About [5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol

[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol (PubChem CID 166001509) has the molecular formula C5H9N3S2 and a molecular weight of 175.28 g/mol. Its IUPAC name is [5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol.

Molecular Properties

Compound Name[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol
PubChem CID166001509
Molecular FormulaC5H9N3S2
Molecular Weight175.28 g/mol
Exact Mass175.02
IUPAC Name[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol
SMILESCCNc1nnc(CS)s1
InChIInChI=1S/C5H9N3S2/c1-2-6-5-8-7-4(3-9)10-5/h9H,2-3H2,1H3,(H,6,8)
InChIKeyDIEISUSEBHWCEE-UHFFFAOYSA-N
XLogP1.40
TPSA37.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.40
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

5-Methyl-N-(propan-2-yl)-1,3,4-thiadiazol-2-amine
CID 544670
2-[(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]ethanethiol
CID 45484392
N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 47119714
N-(2,2-difluoroethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 79098164
N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 91636363
5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 102809257
5-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 113739054
N-(2-methylsulfinylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448573
N-(3-methylsulfanylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448581
N-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448589
N-(2-methylsulfanylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449763
N-(3-fluorobutyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 130637742

Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol?
The IUPAC name of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol (CID 166001509) is [5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol.
What is the SMILES notation for [5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol?
The canonical SMILES for [5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol is CCNc1nnc(CS)s1.
What is the InChIKey of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol?
The InChIKey is DIEISUSEBHWCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S2/c1-2-6-5-8-7-4(3-9)10-5/h9H,2-3H2,1H3,(H,6,8).
What are the key properties of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol?
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol has a molecular weight of 175.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanethiol is sourced from PubChem (CID 166001509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).