4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide

C8H10N4O2S2 — CID 79675379

IUPAC4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(C(=O)c2cnns2)CCO1
InChIInChI=1S/C8H10N4O2S2/c9-7(15)5-4-12(1-2-14-5)8(13)6-3-10-11-16-6/h3,5H,1-2,4H2,(H2,9,15)
InChIKeyNTBWJALMGJSTRQ-UHFFFAOYSA-N
MW258.33 g/mol
LogP-0.33
Rot. Bonds2

About 4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide

4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide (PubChem CID 79675379) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide
PubChem CID79675379
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC Name4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(C(=O)c2cnns2)CCO1
InChIInChI=1S/C8H10N4O2S2/c9-7(15)5-4-12(1-2-14-5)8(13)6-3-10-11-16-6/h3,5H,1-2,4H2,(H2,9,15)
InChIKeyNTBWJALMGJSTRQ-UHFFFAOYSA-N
XLogP-0.33
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 5-0.33
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 4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide (CID 79675379) is 4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide is NC(=S)C1CN(C(=O)c2cnns2)CCO1.
What is the InChIKey of 4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide?
The InChIKey is NTBWJALMGJSTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c9-7(15)5-4-12(1-2-14-5)8(13)6-3-10-11-16-6/h3,5H,1-2,4H2,(H2,9,15).
What are the key properties of 4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide?
4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide has a molecular weight of 258.33 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiadiazole-5-carbonyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79675379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).