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

C9H15N3S2 — CID 131014931

IUPAC5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione
SMILESCC(C)(Nc1n[nH]c(=S)s1)C1CCC1
InChIInChI=1S/C9H15N3S2/c1-9(2,6-4-3-5-6)10-7-11-12-8(13)14-7/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyWPJUGDBGDKNHAG-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.19
Rot. Bonds3

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

5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 131014931) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione
PubChem CID131014931
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione
SMILESCC(C)(Nc1n[nH]c(=S)s1)C1CCC1
InChIInChI=1S/C9H15N3S2/c1-9(2,6-4-3-5-6)10-7-11-12-8(13)14-7/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyWPJUGDBGDKNHAG-UHFFFAOYSA-N
XLogP3.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylbutan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione
CID 29062923
5-[[(1R,2S)-2-methylcyclohexyl]amino]-3H-1,3,4-thiadiazole-2-thione
CID 2375960
5-[(4-methylcyclohexyl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 43148497
5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione
CID 2732302
5-(dicyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione
CID 61482538
5-[2-[cyclopropyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione
CID 62979574
5-(thian-2-ylmethylamino)-3H-1,3,4-thiadiazole-2-thione
CID 80612586
5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione
CID 7131289
5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione
CID 80713304
5-[(1-cyclopropyl-2-methylpropyl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 130751706
N-(2-cyclopentylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 130014375
5-[(3-methyloxan-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 130491754

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione (CID 131014931) is 5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione is CC(C)(Nc1n[nH]c(=S)s1)C1CCC1.
What is the InChIKey of 5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is WPJUGDBGDKNHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-9(2,6-4-3-5-6)10-7-11-12-8(13)14-7/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione?
5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 229.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 131014931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).