N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide

C11H18N4O2S — CID 113266005

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CNCCO2)s1
InChIInChI=1S/C11H18N4O2S/c1-7(2)5-9-14-15-11(18-9)13-10(16)8-6-12-3-4-17-8/h7-8,12H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyDILOJXHHOYZCEO-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.66
Rot. Bonds4

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide (PubChem CID 113266005) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide
PubChem CID113266005
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CNCCO2)s1
InChIInChI=1S/C11H18N4O2S/c1-7(2)5-9-14-15-11(18-9)13-10(16)8-6-12-3-4-17-8/h7-8,12H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyDILOJXHHOYZCEO-UHFFFAOYSA-N
XLogP0.66
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-Morpholin-4-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-isobutyramide
CID 1398561
N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-(morpholin-4-yl)-4-oxobutanamide
CID 664017
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 56862168
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 56867698
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 95402466
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 95402467
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 95539472
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 95539473
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119705225
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide
CID 119705226
4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 941191
2-methyl-N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 2068758

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide (CID 113266005) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide is CC(C)Cc1nnc(NC(=O)C2CNCCO2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide?
The InChIKey is DILOJXHHOYZCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-7(2)5-9-14-15-11(18-9)13-10(16)8-6-12-3-4-17-8/h7-8,12H,3-6H2,1-2H3,(H,13,15,16).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 113266005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).