5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione

C6H10N2S2 — CID 45096607

IUPAC5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione
SMILESCC(C)c1[nH]c(=S)sc1N
InChIInChI=1S/C6H10N2S2/c1-3(2)4-5(7)10-6(9)8-4/h3H,7H2,1-2H3,(H,8,9)
InChIKeyAHDJKHUOKILYDJ-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.51
Rot. Bonds1

About 5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione

5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione (PubChem CID 45096607) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione
PubChem CID45096607
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione
SMILESCC(C)c1[nH]c(=S)sc1N
InChIInChI=1S/C6H10N2S2/c1-3(2)4-5(7)10-6(9)8-4/h3H,7H2,1-2H3,(H,8,9)
InChIKeyAHDJKHUOKILYDJ-UHFFFAOYSA-N
XLogP2.51
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione (CID 45096607) is 5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione is CC(C)c1[nH]c(=S)sc1N.
What is the InChIKey of 5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione?
The InChIKey is AHDJKHUOKILYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-3(2)4-5(7)10-6(9)8-4/h3H,7H2,1-2H3,(H,8,9).
What are the key properties of 5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione?
5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione has a molecular weight of 174.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-propan-2-yl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 45096607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).