4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

C19H25N5O2S — CID 1402070

IUPAC4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C19H25N5O2S/c1-2-6-17-21-22-19(27-17)20-16(25)9-10-18(26)24-13-11-23(12-14-24)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,20,22,25)
InChIKeyJTIGYNGYYNJGLI-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.56
Rot. Bonds7

About 4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 1402070) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID1402070
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C19H25N5O2S/c1-2-6-17-21-22-19(27-17)20-16(25)9-10-18(26)24-13-11-23(12-14-24)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,20,22,25)
InChIKeyJTIGYNGYYNJGLI-UHFFFAOYSA-N
XLogP2.56
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (CID 1402070) is 4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is CCCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of 4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is JTIGYNGYYNJGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-2-6-17-21-22-19(27-17)20-16(25)9-10-18(26)24-13-11-23(12-14-24)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,20,22,25).
What are the key properties of 4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 387.51 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-phenylpiperazin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 1402070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).