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

C12H19N3OS — CID 3212600

IUPACN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-3-8(2)10(16)13-12-15-14-11(17-12)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyHPFJXJINCJQLAI-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.18
Rot. Bonds4

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

N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide (PubChem CID 3212600) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
PubChem CID3212600
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-3-8(2)10(16)13-12-15-14-11(17-12)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyHPFJXJINCJQLAI-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.18
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
3-cyclohexyl-N-(5-tert-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 4986684
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

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
The IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide (CID 3212600) is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide.
What is the SMILES notation for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
The canonical SMILES for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide is CCC(C)C(=O)Nc1nnc(C2CCCC2)s1.
What is the InChIKey of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
The InChIKey is HPFJXJINCJQLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-8(2)10(16)13-12-15-14-11(17-12)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide has a molecular weight of 253.37 g/mol, XLogP of 3.18, 4 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-methylbutanamide is sourced from PubChem (CID 3212600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).