5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione

C6H11N3S2 — CID 70457706

IUPAC5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione
SMILESNCCNCc1c[nH]c(=S)s1
InChIInChI=1S/C6H11N3S2/c7-1-2-8-3-5-4-9-6(10)11-5/h4,8H,1-3,7H2,(H,9,10)
InChIKeyWVSOHRRUZRVZPC-UHFFFAOYSA-N
MW189.31 g/mol
LogP0.85
Rot. Bonds4

About 5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione

5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione (PubChem CID 70457706) has the molecular formula C6H11N3S2 and a molecular weight of 189.31 g/mol. Its IUPAC name is 5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione
PubChem CID70457706
Molecular FormulaC6H11N3S2
Molecular Weight189.31 g/mol
Exact Mass189.04
IUPAC Name5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione
SMILESNCCNCc1c[nH]c(=S)s1
InChIInChI=1S/C6H11N3S2/c7-1-2-8-3-5-4-9-6(10)11-5/h4,8H,1-3,7H2,(H,9,10)
InChIKeyWVSOHRRUZRVZPC-UHFFFAOYSA-N
XLogP0.85
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione (CID 70457706) is 5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione is NCCNCc1c[nH]c(=S)s1.
What is the InChIKey of 5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione?
The InChIKey is WVSOHRRUZRVZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S2/c7-1-2-8-3-5-4-9-6(10)11-5/h4,8H,1-3,7H2,(H,9,10).
What are the key properties of 5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione?
5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione has a molecular weight of 189.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminoethylamino)methyl]-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 70457706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).