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

C10H8N4S3 — CID 18709106

IUPAC5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione
SMILESCc1nc(-n2cccc2)sc1-c1n[nH]c(=S)s1
InChIInChI=1S/C10H8N4S3/c1-6-7(8-12-13-10(15)17-8)16-9(11-6)14-4-2-3-5-14/h2-5H,1H3,(H,13,15)
InChIKeyXQLXSAANJIAXML-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.42
Rot. Bonds2

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

5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 18709106) has the molecular formula C10H8N4S3 and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione
PubChem CID18709106
Molecular FormulaC10H8N4S3
Molecular Weight280.40 g/mol
Exact Mass279.99
IUPAC Name5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione
SMILESCc1nc(-n2cccc2)sc1-c1n[nH]c(=S)s1
InChIInChI=1S/C10H8N4S3/c1-6-7(8-12-13-10(15)17-8)16-9(11-6)14-4-2-3-5-14/h2-5H,1H3,(H,13,15)
InChIKeyXQLXSAANJIAXML-UHFFFAOYSA-N
XLogP3.42
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione (CID 18709106) is 5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione is Cc1nc(-n2cccc2)sc1-c1n[nH]c(=S)s1.
What is the InChIKey of 5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is XQLXSAANJIAXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S3/c1-6-7(8-12-13-10(15)17-8)16-9(11-6)14-4-2-3-5-14/h2-5H,1H3,(H,13,15).
What are the key properties of 5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione?
5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 280.40 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 18709106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).