N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide

C14H22N4O3S — CID 664017

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)N2CCOCC2)s1
InChIInChI=1S/C14H22N4O3S/c1-10(2)9-12-16-17-14(22-12)15-11(19)3-4-13(20)18-5-7-21-8-6-18/h10H,3-9H2,1-2H3,(H,15,17,19)
InChIKeyDZWSLKICBDWGLX-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.31
Rot. Bonds6

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

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 664017) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID664017
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)N2CCOCC2)s1
InChIInChI=1S/C14H22N4O3S/c1-10(2)9-12-16-17-14(22-12)15-11(19)3-4-13(20)18-5-7-21-8-6-18/h10H,3-9H2,1-2H3,(H,15,17,19)
InChIKeyDZWSLKICBDWGLX-UHFFFAOYSA-N
XLogP1.31
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide (CID 664017) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide is CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCOCC2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is DZWSLKICBDWGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-10(2)9-12-16-17-14(22-12)15-11(19)3-4-13(20)18-5-7-21-8-6-18/h10H,3-9H2,1-2H3,(H,15,17,19).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 326.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 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]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 664017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).