N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide

C18H30N4OS — CID 127939435

IUPACN-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide
SMILESCC(C)(C)c1nsc(N2CCC(NC(=O)CC3CCCC3)CC2)n1
InChIInChI=1S/C18H30N4OS/c1-18(2,3)16-20-17(24-21-16)22-10-8-14(9-11-22)19-15(23)12-13-6-4-5-7-13/h13-14H,4-12H2,1-3H3,(H,19,23)
InChIKeyXAEGGVFVQYYCEF-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.50
Rot. Bonds4

About N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide

N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide (PubChem CID 127939435) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide
PubChem CID127939435
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC NameN-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide
SMILESCC(C)(C)c1nsc(N2CCC(NC(=O)CC3CCCC3)CC2)n1
InChIInChI=1S/C18H30N4OS/c1-18(2,3)16-20-17(24-21-16)22-10-8-14(9-11-22)19-15(23)12-13-6-4-5-7-13/h13-14H,4-12H2,1-3H3,(H,19,23)
InChIKeyXAEGGVFVQYYCEF-UHFFFAOYSA-N
XLogP3.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole
CID 130611538
[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133498907
methyl 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133495038
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133493601
2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 6489770
2-cyclohexyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide
CID 91924035
tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 172898653
3-tert-butyl-5-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 133493966
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 103162228
1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 112627776
N-cyclopentyl-2-cyclopropylacetamide
CID 60753480
2-cyclopentyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 122157562

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide (CID 127939435) is N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide is CC(C)(C)c1nsc(N2CCC(NC(=O)CC3CCCC3)CC2)n1.
What is the InChIKey of N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide?
The InChIKey is XAEGGVFVQYYCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-18(2,3)16-20-17(24-21-16)22-10-8-14(9-11-22)19-15(23)12-13-6-4-5-7-13/h13-14H,4-12H2,1-3H3,(H,19,23).
What are the key properties of N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide?
N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide has a molecular weight of 350.53 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 127939435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).