2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol

C8H15N3OS2 — CID 39850655

IUPAC2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
SMILESCC(C)(C)Nc1nnc(SCCO)s1
InChIInChI=1S/C8H15N3OS2/c1-8(2,3)9-6-10-11-7(14-6)13-5-4-12/h12H,4-5H2,1-3H3,(H,9,10)
InChIKeyPTPMOZUFBXJRGQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.83
Rot. Bonds4

About 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol

2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol (PubChem CID 39850655) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
PubChem CID39850655
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
SMILESCC(C)(C)Nc1nnc(SCCO)s1
InChIInChI=1S/C8H15N3OS2/c1-8(2,3)9-6-10-11-7(14-6)13-5-4-12/h12H,4-5H2,1-3H3,(H,9,10)
InChIKeyPTPMOZUFBXJRGQ-UHFFFAOYSA-N
XLogP1.83
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 18101219
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 18101267
N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 131207186
N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 18142364
N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18101373
5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol
CID 60613691
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)acetamide
CID 18101345
2-[[5-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 106097451
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 18101310
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 19228550
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
CID 9379522
2-[[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 17395589

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol (CID 39850655) is 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol is CC(C)(C)Nc1nnc(SCCO)s1.
What is the InChIKey of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
The InChIKey is PTPMOZUFBXJRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-8(2,3)9-6-10-11-7(14-6)13-5-4-12/h12H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol has a molecular weight of 233.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol is sourced from PubChem (CID 39850655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).