[2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate

C7H14N4S2 — CID 3092233

IUPAC[2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate
SMILES[H]/N=C(\N)SCC1CN=C(N(C)C)S1
InChIInChI=1S/C7H14N4S2/c1-11(2)7-10-3-5(13-7)4-12-6(8)9/h5H,3-4H2,1-2H3,(H3,8,9)
InChIKeyJVVGGZNZNGGUFL-UHFFFAOYSA-N
MW218.35 g/mol
LogP0.65
Rot. Bonds2

About [2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate

[2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate (PubChem CID 3092233) has the molecular formula C7H14N4S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is [2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate.

Molecular Properties

Compound Name[2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate
PubChem CID3092233
Molecular FormulaC7H14N4S2
Molecular Weight218.35 g/mol
Exact Mass218.07
IUPAC Name[2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate
SMILES[H]/N=C(\N)SCC1CN=C(N(C)C)S1
InChIInChI=1S/C7H14N4S2/c1-11(2)7-10-3-5(13-7)4-12-6(8)9/h5H,3-4H2,1-2H3,(H3,8,9)
InChIKeyJVVGGZNZNGGUFL-UHFFFAOYSA-N
XLogP0.65
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate?
The IUPAC name of [2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate (CID 3092233) is [2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate.
What is the SMILES notation for [2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate?
The canonical SMILES for [2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate is [H]/N=C(\N)SCC1CN=C(N(C)C)S1.
What is the InChIKey of [2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate?
The InChIKey is JVVGGZNZNGGUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S2/c1-11(2)7-10-3-5(13-7)4-12-6(8)9/h5H,3-4H2,1-2H3,(H3,8,9).
What are the key properties of [2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate?
[2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate has a molecular weight of 218.35 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate is sourced from PubChem (CID 3092233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).