N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide

C11H17N3OS — CID 1080969

IUPACN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C11H17N3OS/c1-7(2)9(15)12-11-14-13-10(16-11)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,12,14,15)
InChIKeyXFIWYZBUROEQJE-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.79
Rot. Bonds3

About N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide

N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide (PubChem CID 1080969) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
PubChem CID1080969
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C11H17N3OS/c1-7(2)9(15)12-11-14-13-10(16-11)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,12,14,15)
InChIKeyXFIWYZBUROEQJE-UHFFFAOYSA-N
XLogP2.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide
CID 2470137
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 702129
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 839902
Propionamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-
CID 213280
Propionamide, N-(5-butyl-1,3,4-thiadiazol-2-yl)-
CID 3065345
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
CID 655064
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 847063
2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide
CID 741742
3-cyclohexyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 889545
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 8750027
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 16322265
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 745391

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide (CID 1080969) is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide is CC(C)C(=O)Nc1nnc(C2CCCC2)s1.
What is the InChIKey of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
The InChIKey is XFIWYZBUROEQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7(2)9(15)12-11-14-13-10(16-11)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,12,14,15).
What are the key properties of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide has a molecular weight of 239.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 1080969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).