N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide

C13H22N4OS — CID 119820943

IUPACN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)(C)c1nnc(CNC(=O)CC2CCCN2)s1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)12-17-16-11(19-12)8-15-10(18)7-9-5-4-6-14-9/h9,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyUJLJWODKDKUNJB-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds4

About N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide

N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119820943) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119820943
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)(C)c1nnc(CNC(=O)CC2CCCN2)s1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)12-17-16-11(19-12)8-15-10(18)7-9-5-4-6-14-9/h9,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyUJLJWODKDKUNJB-UHFFFAOYSA-N
XLogP1.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119816657
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119344857
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119896093
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119897347
2-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63824820
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119900153
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 113267423
2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 61365653
4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid
CID 65285697
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide (CID 119820943) is N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide is CC(C)(C)c1nnc(CNC(=O)CC2CCCN2)s1.
What is the InChIKey of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is UJLJWODKDKUNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-13(2,3)12-17-16-11(19-12)8-15-10(18)7-9-5-4-6-14-9/h9,14H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide?
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 282.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119820943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).