5-amino-1,3-thiazole-2-carbothioamide

C4H5N3S2 — CID 3440815

IUPAC5-amino-1,3-thiazole-2-carbothioamide
SMILESNC(=S)c1ncc(N)s1
InChIInChI=1S/C4H5N3S2/c5-2-1-7-4(9-2)3(6)8/h1H,5H2,(H2,6,8)
InChIKeyXGWWACYQWGKGSS-UHFFFAOYSA-N
MW159.24 g/mol
LogP0.36
Rot. Bonds1

About 5-amino-1,3-thiazole-2-carbothioamide

5-amino-1,3-thiazole-2-carbothioamide (PubChem CID 3440815) has the molecular formula C4H5N3S2 and a molecular weight of 159.24 g/mol. Its IUPAC name is 5-amino-1,3-thiazole-2-carbothioamide.

Molecular Properties

Compound Name5-amino-1,3-thiazole-2-carbothioamide
PubChem CID3440815
Molecular FormulaC4H5N3S2
Molecular Weight159.24 g/mol
Exact Mass158.99
IUPAC Name5-amino-1,3-thiazole-2-carbothioamide
SMILESNC(=S)c1ncc(N)s1
InChIInChI=1S/C4H5N3S2/c5-2-1-7-4(9-2)3(6)8/h1H,5H2,(H2,6,8)
InChIKeyXGWWACYQWGKGSS-UHFFFAOYSA-N
XLogP0.36
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-1,3-thiazole-2-carbothioamide?
The IUPAC name of 5-amino-1,3-thiazole-2-carbothioamide (CID 3440815) is 5-amino-1,3-thiazole-2-carbothioamide.
What is the SMILES notation for 5-amino-1,3-thiazole-2-carbothioamide?
The canonical SMILES for 5-amino-1,3-thiazole-2-carbothioamide is NC(=S)c1ncc(N)s1.
What is the InChIKey of 5-amino-1,3-thiazole-2-carbothioamide?
The InChIKey is XGWWACYQWGKGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3S2/c5-2-1-7-4(9-2)3(6)8/h1H,5H2,(H2,6,8).
What are the key properties of 5-amino-1,3-thiazole-2-carbothioamide?
5-amino-1,3-thiazole-2-carbothioamide has a molecular weight of 159.24 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-thiazole-2-carbothioamide is sourced from PubChem (CID 3440815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).