(thiadiazole-4-carbonylamino)thiourea

C4H5N5OS2 — CID 65216202

IUPAC(thiadiazole-4-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1csnn1
InChIInChI=1S/C4H5N5OS2/c5-4(11)8-7-3(10)2-1-12-9-6-2/h1H,(H,7,10)(H3,5,8,11)
InChIKeyMMXAYUWFEUOPKE-UHFFFAOYSA-N
MW203.25 g/mol
LogP-0.98
Rot. Bonds1

About (thiadiazole-4-carbonylamino)thiourea

(thiadiazole-4-carbonylamino)thiourea (PubChem CID 65216202) has the molecular formula C4H5N5OS2 and a molecular weight of 203.25 g/mol. Its IUPAC name is (thiadiazole-4-carbonylamino)thiourea.

Molecular Properties

Compound Name(thiadiazole-4-carbonylamino)thiourea
PubChem CID65216202
Molecular FormulaC4H5N5OS2
Molecular Weight203.25 g/mol
Exact Mass202.99
IUPAC Name(thiadiazole-4-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1csnn1
InChIInChI=1S/C4H5N5OS2/c5-4(11)8-7-3(10)2-1-12-9-6-2/h1H,(H,7,10)(H3,5,8,11)
InChIKeyMMXAYUWFEUOPKE-UHFFFAOYSA-N
XLogP-0.98
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (thiadiazole-4-carbonylamino)thiourea?
The IUPAC name of (thiadiazole-4-carbonylamino)thiourea (CID 65216202) is (thiadiazole-4-carbonylamino)thiourea.
What is the SMILES notation for (thiadiazole-4-carbonylamino)thiourea?
The canonical SMILES for (thiadiazole-4-carbonylamino)thiourea is NC(=S)NNC(=O)c1csnn1.
What is the InChIKey of (thiadiazole-4-carbonylamino)thiourea?
The InChIKey is MMXAYUWFEUOPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5OS2/c5-4(11)8-7-3(10)2-1-12-9-6-2/h1H,(H,7,10)(H3,5,8,11).
What are the key properties of (thiadiazole-4-carbonylamino)thiourea?
(thiadiazole-4-carbonylamino)thiourea has a molecular weight of 203.25 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (thiadiazole-4-carbonylamino)thiourea is sourced from PubChem (CID 65216202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).