N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide

C11H16N4O2S — CID 81330154

IUPACN-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2c(C(N)=S)cnn2C)O1
InChIInChI=1S/C11H16N4O2S/c1-6-3-4-8(17-6)11(16)14-10-7(9(12)18)5-13-15(10)2/h5-6,8H,3-4H2,1-2H3,(H2,12,18)(H,14,16)
InChIKeyVTTDYESFNZVVBB-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.56
Rot. Bonds3

About N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide

N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide (PubChem CID 81330154) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide
PubChem CID81330154
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2c(C(N)=S)cnn2C)O1
InChIInChI=1S/C11H16N4O2S/c1-6-3-4-8(17-6)11(16)14-10-7(9(12)18)5-13-15(10)2/h5-6,8H,3-4H2,1-2H3,(H2,12,18)(H,14,16)
InChIKeyVTTDYESFNZVVBB-UHFFFAOYSA-N
XLogP0.56
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
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 N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide (CID 81330154) is N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2c(C(N)=S)cnn2C)O1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide?
The InChIKey is VTTDYESFNZVVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-6-3-4-8(17-6)11(16)14-10-7(9(12)18)5-13-15(10)2/h5-6,8H,3-4H2,1-2H3,(H2,12,18)(H,14,16).
What are the key properties of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide?
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81330154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).