5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione

C6H9N3OS2 — CID 80713304

IUPAC5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(NC2CCOC2)s1
InChIInChI=1S/C6H9N3OS2/c11-6-9-8-5(12-6)7-4-1-2-10-3-4/h4H,1-3H2,(H,7,8)(H,9,11)
InChIKeyJYRMJIGFPWWKNK-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.40
Rot. Bonds2

About 5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione

5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 80713304) has the molecular formula C6H9N3OS2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione
PubChem CID80713304
Molecular FormulaC6H9N3OS2
Molecular Weight203.29 g/mol
Exact Mass203.02
IUPAC Name5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(NC2CCOC2)s1
InChIInChI=1S/C6H9N3OS2/c11-6-9-8-5(12-6)7-4-1-2-10-3-4/h4H,1-3H2,(H,7,8)(H,9,11)
InChIKeyJYRMJIGFPWWKNK-UHFFFAOYSA-N
XLogP1.40
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methyloxan-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 130491754
5-[(4-methylcyclohexyl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 43148497
5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 131065715
5-[methyl(oxolan-3-yl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 82749299
5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione
CID 2732302
N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
[4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol
CID 130735722
6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 80713313
5-[2-[cyclopropyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione
CID 62979574
5-[(1-cyclopropyl-2-methylpropyl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 130751706
4-(oxolan-3-ylamino)benzenecarbothioamide
CID 80714281
N-(oxolan-3-yl)pyrimidin-5-amine
CID 83480544

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione (CID 80713304) is 5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione is S=c1[nH]nc(NC2CCOC2)s1.
What is the InChIKey of 5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is JYRMJIGFPWWKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS2/c11-6-9-8-5(12-6)7-4-1-2-10-3-4/h4H,1-3H2,(H,7,8)(H,9,11).
What are the key properties of 5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione?
5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 203.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 80713304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).