4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide

C13H22N4OS — CID 65210340

IUPAC4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCCC1CCNC1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)11-10(19-17-16-11)12(18)15-7-5-9-4-6-14-8-9/h9,14H,4-8H2,1-3H3,(H,15,18)
InChIKeySSGNOULJKQZYET-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.57
Rot. Bonds4

About 4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide

4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide (PubChem CID 65210340) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide
PubChem CID65210340
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCCC1CCNC1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)11-10(19-17-16-11)12(18)15-7-5-9-4-6-14-8-9/h9,14H,4-8H2,1-3H3,(H,15,18)
InChIKeySSGNOULJKQZYET-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(2-piperidin-3-ylethyl)thiadiazole-5-carboxamide
CID 65210288
4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 79687974
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide
CID 107487037
N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 115303345
4-tert-butyl-N-(6-chlorohexyl)thiadiazole-5-carboxamide
CID 107847132
N-(4-bromobutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 106845798
N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65204953
4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide
CID 65210017
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]thiadiazole-5-carboxamide
CID 114303280
4-tert-butyl-N-[[2-(chloromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide
CID 114307150

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide (CID 65210340) is 4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)NCCC1CCNC1.
What is the InChIKey of 4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide?
The InChIKey is SSGNOULJKQZYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-13(2,3)11-10(19-17-16-11)12(18)15-7-5-9-4-6-14-8-9/h9,14H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65210340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).