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

C18H28N4O2S — CID 1394618

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
SMILESCC1CCN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)CC1
InChIInChI=1S/C18H28N4O2S/c1-13-9-11-22(12-10-13)16(24)8-7-15(23)19-18-21-20-17(25-18)14-5-3-2-4-6-14/h13-14H,2-12H2,1H3,(H,19,21,23)
InChIKeyFXYQCMUCTOIMBU-UHFFFAOYSA-N
MW364.52 g/mol
LogP3.56
Rot. Bonds5

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

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide (PubChem CID 1394618) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
PubChem CID1394618
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
SMILESCC1CCN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)CC1
InChIInChI=1S/C18H28N4O2S/c1-13-9-11-22(12-10-13)16(24)8-7-15(23)19-18-21-20-17(25-18)14-5-3-2-4-6-14/h13-14H,2-12H2,1H3,(H,19,21,23)
InChIKeyFXYQCMUCTOIMBU-UHFFFAOYSA-N
XLogP3.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide (CID 1394618) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide is CC1CCN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)CC1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide?
The InChIKey is FXYQCMUCTOIMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-13-9-11-22(12-10-13)16(24)8-7-15(23)19-18-21-20-17(25-18)14-5-3-2-4-6-14/h13-14H,2-12H2,1H3,(H,19,21,23).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide has a molecular weight of 364.52 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 1394618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).