5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide

C8H13N5O2S — CID 22758960

IUPAC5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide
SMILESCNC(=O)Nc1snnc1C(=O)NC(C)C
InChIInChI=1S/C8H13N5O2S/c1-4(2)10-6(14)5-7(16-13-12-5)11-8(15)9-3/h4H,1-3H3,(H,10,14)(H2,9,11,15)
InChIKeyAZLLAAQCUXSUTO-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.43
Rot. Bonds3

About 5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide

5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide (PubChem CID 22758960) has the molecular formula C8H13N5O2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide
PubChem CID22758960
Molecular FormulaC8H13N5O2S
Molecular Weight243.29 g/mol
Exact Mass243.08
IUPAC Name5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide
SMILESCNC(=O)Nc1snnc1C(=O)NC(C)C
InChIInChI=1S/C8H13N5O2S/c1-4(2)10-6(14)5-7(16-13-12-5)11-8(15)9-3/h4H,1-3H3,(H,10,14)(H2,9,11,15)
InChIKeyAZLLAAQCUXSUTO-UHFFFAOYSA-N
XLogP0.43
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide?
The IUPAC name of 5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide (CID 22758960) is 5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide?
The canonical SMILES for 5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide is CNC(=O)Nc1snnc1C(=O)NC(C)C.
What is the InChIKey of 5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide?
The InChIKey is AZLLAAQCUXSUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2S/c1-4(2)10-6(14)5-7(16-13-12-5)11-8(15)9-3/h4H,1-3H3,(H,10,14)(H2,9,11,15).
What are the key properties of 5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide?
5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide is sourced from PubChem (CID 22758960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).