1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide

C8H10N4OS2 — CID 65215460

IUPAC1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide
SMILESNC(=S)C1CCCN1C(=O)c1cnns1
InChIInChI=1S/C8H10N4OS2/c9-7(14)5-2-1-3-12(5)8(13)6-4-10-11-15-6/h4-5H,1-3H2,(H2,9,14)
InChIKeyHMSJGKUTTNVSSS-UHFFFAOYSA-N
MW242.33 g/mol
LogP0.43
Rot. Bonds2

About 1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide

1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide (PubChem CID 65215460) has the molecular formula C8H10N4OS2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide.

Molecular Properties

Compound Name1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide
PubChem CID65215460
Molecular FormulaC8H10N4OS2
Molecular Weight242.33 g/mol
Exact Mass242.03
IUPAC Name1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide
SMILESNC(=S)C1CCCN1C(=O)c1cnns1
InChIInChI=1S/C8H10N4OS2/c9-7(14)5-2-1-3-12(5)8(13)6-4-10-11-15-6/h4-5H,1-3H2,(H2,9,14)
InChIKeyHMSJGKUTTNVSSS-UHFFFAOYSA-N
XLogP0.43
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 50.43
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 1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide?
The IUPAC name of 1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide (CID 65215460) is 1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide.
What is the SMILES notation for 1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide?
The canonical SMILES for 1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide is NC(=S)C1CCCN1C(=O)c1cnns1.
What is the InChIKey of 1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide?
The InChIKey is HMSJGKUTTNVSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS2/c9-7(14)5-2-1-3-12(5)8(13)6-4-10-11-15-6/h4-5H,1-3H2,(H2,9,14).
What are the key properties of 1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide?
1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide has a molecular weight of 242.33 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide is sourced from PubChem (CID 65215460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).