5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione

C7H11N3OS2 — CID 7131289

IUPAC5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(NC[C@H]2CCCO2)s1
InChIInChI=1S/C7H11N3OS2/c12-7-10-9-6(13-7)8-4-5-2-1-3-11-5/h5H,1-4H2,(H,8,9)(H,10,12)/t5-/m1/s1
InChIKeyWIFSGOAHPPGXIL-RXMQYKEDSA-N
MW217.32 g/mol
LogP1.79
Rot. Bonds3

About 5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione

5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione (PubChem CID 7131289) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is 5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione
PubChem CID7131289
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC Name5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(NC[C@H]2CCCO2)s1
InChIInChI=1S/C7H11N3OS2/c12-7-10-9-6(13-7)8-4-5-2-1-3-11-5/h5H,1-4H2,(H,8,9)(H,10,12)/t5-/m1/s1
InChIKeyWIFSGOAHPPGXIL-RXMQYKEDSA-N
XLogP1.79
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.79
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-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
N-(oxolan-2-ylmethyl)thiatriazol-5-amine
CID 86210692
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
N-(oxan-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448389
(3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one
CID 95145854
5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 102770422
(3R)-3-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one
CID 42000514
3-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277519
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
CID 39902652
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 80571068
N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 115601377

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione (CID 7131289) is 5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione is S=c1[nH]nc(NC[C@H]2CCCO2)s1.
What is the InChIKey of 5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is WIFSGOAHPPGXIL-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11N3OS2/c12-7-10-9-6(13-7)8-4-5-2-1-3-11-5/h5H,1-4H2,(H,8,9)(H,10,12)/t5-/m1/s1.
What are the key properties of 5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione?
5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 217.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 7131289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).