N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

C15H24N4O2S — CID 665057

IUPACN-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(CCN2CCOCC2)s1)C1CCCCC1
InChIInChI=1S/C15H24N4O2S/c20-14(12-4-2-1-3-5-12)16-15-18-17-13(22-15)6-7-19-8-10-21-11-9-19/h12H,1-11H2,(H,16,18,20)
InChIKeyPYPJIIUVKAJBGL-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.93
Rot. Bonds5

About N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 665057) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
PubChem CID665057
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(CCN2CCOCC2)s1)C1CCCCC1
InChIInChI=1S/C15H24N4O2S/c20-14(12-4-2-1-3-5-12)16-15-18-17-13(22-15)6-7-19-8-10-21-11-9-19/h12H,1-11H2,(H,16,18,20)
InChIKeyPYPJIIUVKAJBGL-UHFFFAOYSA-N
XLogP1.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (CID 665057) is N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nnc(CCN2CCOCC2)s1)C1CCCCC1.
What is the InChIKey of N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is PYPJIIUVKAJBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c20-14(12-4-2-1-3-5-12)16-15-18-17-13(22-15)6-7-19-8-10-21-11-9-19/h12H,1-11H2,(H,16,18,20).
What are the key properties of N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 665057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).