N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide

C11H18N4O2S — CID 47262245

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnsn1)N1CCOCC1
InChIInChI=1S/C11H18N4O2S/c1-11(2,15-3-5-17-6-4-15)8-12-10(16)9-7-13-18-14-9/h7H,3-6,8H2,1-2H3,(H,12,16)
InChIKeyXQJCILPQKKKBLV-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.38
Rot. Bonds4

About N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide

N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 47262245) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID47262245
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnsn1)N1CCOCC1
InChIInChI=1S/C11H18N4O2S/c1-11(2,15-3-5-17-6-4-15)8-12-10(16)9-7-13-18-14-9/h7H,3-6,8H2,1-2H3,(H,12,16)
InChIKeyXQJCILPQKKKBLV-UHFFFAOYSA-N
XLogP0.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide (CID 47262245) is N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide is CC(C)(CNC(=O)c1cnsn1)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is XQJCILPQKKKBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(2,15-3-5-17-6-4-15)8-12-10(16)9-7-13-18-14-9/h7H,3-6,8H2,1-2H3,(H,12,16).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 47262245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).