N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide

C16H24N4O3S — CID 1399940

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C16H24N4O3S/c21-13(6-7-14(22)20-8-10-23-11-9-20)17-16-19-18-15(24-16)12-4-2-1-3-5-12/h12H,1-11H2,(H,17,19,21)
InChIKeyVDGMPPJFECPYJB-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.16
Rot. Bonds5

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 1399940) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID1399940
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C16H24N4O3S/c21-13(6-7-14(22)20-8-10-23-11-9-20)17-16-19-18-15(24-16)12-4-2-1-3-5-12/h12H,1-11H2,(H,17,19,21)
InChIKeyVDGMPPJFECPYJB-UHFFFAOYSA-N
XLogP2.16
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide (CID 1399940) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide is O=C(CCC(=O)N1CCOCC1)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is VDGMPPJFECPYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c21-13(6-7-14(22)20-8-10-23-11-9-20)17-16-19-18-15(24-16)12-4-2-1-3-5-12/h12H,1-11H2,(H,17,19,21).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 352.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 1399940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).