4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

C19H31N5O2S — CID 664087

IUPAC4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)N2CCN(C3CCCCC3)CC2)s1
InChIInChI=1S/C19H31N5O2S/c1-14(2)18-21-22-19(27-18)20-16(25)8-9-17(26)24-12-10-23(11-13-24)15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H,20,22,25)
InChIKeyMDUVILMPBMJPHW-UHFFFAOYSA-N
MW393.56 g/mol
LogP2.86
Rot. Bonds6

About 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 664087) has the molecular formula C19H31N5O2S and a molecular weight of 393.56 g/mol. Its IUPAC name is 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID664087
Molecular FormulaC19H31N5O2S
Molecular Weight393.56 g/mol
Exact Mass393.22
IUPAC Name4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)N2CCN(C3CCCCC3)CC2)s1
InChIInChI=1S/C19H31N5O2S/c1-14(2)18-21-22-19(27-18)20-16(25)8-9-17(26)24-12-10-23(11-13-24)15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H,20,22,25)
InChIKeyMDUVILMPBMJPHW-UHFFFAOYSA-N
XLogP2.86
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-oxo-4-(piperidin-1-yl)-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 945634
1-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2985033
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide]
CID 656355
4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
CID 664533
N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 944624
4-(4-methylpiperidin-1-yl)-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 663862
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide
CID 1397851
N-Cyclooctyl-N'-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1602787
N-cyclooctyl-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 1624671
N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-(piperidin-1-yl)butanamide
CID 942712
Butyramide, N-(5-cyclohexyl-[1,3,4]thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxo-
CID 4921589
N-cyclopentyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 942243

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 664087) is 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(C3CCCCC3)CC2)s1.
What is the InChIKey of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is MDUVILMPBMJPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2S/c1-14(2)18-21-22-19(27-18)20-16(25)8-9-17(26)24-12-10-23(11-13-24)15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H,20,22,25).
What are the key properties of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 393.56 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 664087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).