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

C18H24N6O2S — CID 1399456

IUPAC4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C18H24N6O2S/c1-13(2)17-21-22-18(27-17)20-15(25)6-7-16(26)24-11-9-23(10-12-24)14-5-3-4-8-19-14/h3-5,8,13H,6-7,9-12H2,1-2H3,(H,20,22,25)
InChIKeyGHDGXMGPBVHXCH-UHFFFAOYSA-N
MW388.50 g/mol
LogP2.12
Rot. Bonds6

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

4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide (PubChem CID 1399456) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
PubChem CID1399456
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C18H24N6O2S/c1-13(2)17-21-22-18(27-17)20-15(25)6-7-16(26)24-11-9-23(10-12-24)14-5-3-4-8-19-14/h3-5,8,13H,6-7,9-12H2,1-2H3,(H,20,22,25)
InChIKeyGHDGXMGPBVHXCH-UHFFFAOYSA-N
XLogP2.12
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The IUPAC name of 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide (CID 1399456) is 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide.
What is the SMILES notation for 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The canonical SMILES for 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)s1.
What is the InChIKey of 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The InChIKey is GHDGXMGPBVHXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-13(2)17-21-22-18(27-17)20-15(25)6-7-16(26)24-11-9-23(10-12-24)14-5-3-4-8-19-14/h3-5,8,13H,6-7,9-12H2,1-2H3,(H,20,22,25).
What are the key properties of 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide has a molecular weight of 388.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is sourced from PubChem (CID 1399456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).