N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide

C14H24N4OS — CID 133354809

IUPACN-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(c2nc(C(C)C)ns2)C1
InChIInChI=1S/C14H24N4OS/c1-4-6-12(19)15-11-7-5-8-18(9-11)14-16-13(10(2)3)17-20-14/h10-11H,4-9H2,1-3H3,(H,15,19)
InChIKeyGIPBDSOGLULJGK-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.55
Rot. Bonds5

About N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide

N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide (PubChem CID 133354809) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
PubChem CID133354809
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(c2nc(C(C)C)ns2)C1
InChIInChI=1S/C14H24N4OS/c1-4-6-12(19)15-11-7-5-8-18(9-11)14-16-13(10(2)3)17-20-14/h10-11H,4-9H2,1-3H3,(H,15,19)
InChIKeyGIPBDSOGLULJGK-UHFFFAOYSA-N
XLogP2.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide?
The IUPAC name of N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide (CID 133354809) is N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide.
What is the SMILES notation for N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide?
The canonical SMILES for N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide is CCCC(=O)NC1CCCN(c2nc(C(C)C)ns2)C1.
What is the InChIKey of N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide?
The InChIKey is GIPBDSOGLULJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-6-12(19)15-11-7-5-8-18(9-11)14-16-13(10(2)3)17-20-14/h10-11H,4-9H2,1-3H3,(H,15,19).
What are the key properties of N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide?
N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide has a molecular weight of 296.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide is sourced from PubChem (CID 133354809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).