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

C15H24N4O2S — CID 663630

IUPAC4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CCC(=O)N2CCCCCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-2-7-13-17-18-15(22-13)16-12(20)8-9-14(21)19-10-5-3-4-6-11-19/h2-11H2,1H3,(H,16,18,20)
InChIKeyXHENQUVTWPCVDS-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.61
Rot. Bonds6

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

4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 663630) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID663630
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CCC(=O)N2CCCCCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-2-7-13-17-18-15(22-13)16-12(20)8-9-14(21)19-10-5-3-4-6-11-19/h2-11H2,1H3,(H,16,18,20)
InChIKeyXHENQUVTWPCVDS-UHFFFAOYSA-N
XLogP2.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 939105
N-cyclopropyl-N'-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 940989
N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 941794
4-oxo-4-(piperidin-1-yl)-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 945634
3-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 1120943
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-Cyclooctyl-N'-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1602787
N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-(piperidin-1-yl)butanamide
CID 942712
N-cyclopropyl-N'-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 945676
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 663753
N-[5-(2-Piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-butyramide
CID 1624767

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (CID 663630) is 4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is CCCc1nnc(NC(=O)CCC(=O)N2CCCCCC2)s1.
What is the InChIKey of 4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is XHENQUVTWPCVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-7-13-17-18-15(22-13)16-12(20)8-9-14(21)19-10-5-3-4-6-11-19/h2-11H2,1H3,(H,16,18,20).
What are the key properties of 4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 324.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 663630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).