[(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea

C7H11N5O2S — CID 65206384

IUPAC[(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea
SMILESCC(C)c1nnsc1C(=O)NNC(N)=O
InChIInChI=1S/C7H11N5O2S/c1-3(2)4-5(15-12-9-4)6(13)10-11-7(8)14/h3H,1-2H3,(H,10,13)(H3,8,11,14)
InChIKeyHDBDBWHRRXKRNQ-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.03
Rot. Bonds2

About [(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea

[(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea (PubChem CID 65206384) has the molecular formula C7H11N5O2S and a molecular weight of 229.26 g/mol. Its IUPAC name is [(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea.

Molecular Properties

Compound Name[(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea
PubChem CID65206384
Molecular FormulaC7H11N5O2S
Molecular Weight229.26 g/mol
Exact Mass229.06
IUPAC Name[(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea
SMILESCC(C)c1nnsc1C(=O)NNC(N)=O
InChIInChI=1S/C7H11N5O2S/c1-3(2)4-5(15-12-9-4)6(13)10-11-7(8)14/h3H,1-2H3,(H,10,13)(H3,8,11,14)
InChIKeyHDBDBWHRRXKRNQ-UHFFFAOYSA-N
XLogP-0.03
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea?
The IUPAC name of [(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea (CID 65206384) is [(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea.
What is the SMILES notation for [(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea?
The canonical SMILES for [(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea is CC(C)c1nnsc1C(=O)NNC(N)=O.
What is the InChIKey of [(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea?
The InChIKey is HDBDBWHRRXKRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2S/c1-3(2)4-5(15-12-9-4)6(13)10-11-7(8)14/h3H,1-2H3,(H,10,13)(H3,8,11,14).
What are the key properties of [(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea?
[(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea has a molecular weight of 229.26 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-propan-2-ylthiadiazole-5-carbonyl)amino]urea is sourced from PubChem (CID 65206384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).