5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione

C5H3N3S3 — CID 144617469

IUPAC5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(-c2cncs2)s1
InChIInChI=1S/C5H3N3S3/c9-5-8-7-4(11-5)3-1-6-2-10-3/h1-2H,(H,8,9)
InChIKeyKHOUCGXUXNPWPQ-UHFFFAOYSA-N
MW201.30 g/mol
LogP2.32
Rot. Bonds1

About 5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione

5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 144617469) has the molecular formula C5H3N3S3 and a molecular weight of 201.30 g/mol. Its IUPAC name is 5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione
PubChem CID144617469
Molecular FormulaC5H3N3S3
Molecular Weight201.30 g/mol
Exact Mass200.95
IUPAC Name5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(-c2cncs2)s1
InChIInChI=1S/C5H3N3S3/c9-5-8-7-4(11-5)3-1-6-2-10-3/h1-2H,(H,8,9)
InChIKeyKHOUCGXUXNPWPQ-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione (CID 144617469) is 5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione is S=c1[nH]nc(-c2cncs2)s1.
What is the InChIKey of 5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is KHOUCGXUXNPWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3S3/c9-5-8-7-4(11-5)3-1-6-2-10-3/h1-2H,(H,8,9).
What are the key properties of 5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione?
5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 201.30 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 144617469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).