1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid

C13H20N4O3S — CID 122079292

IUPAC1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)c1nsc(NC(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C13H20N4O3S/c1-13(2,3)10-14-11(21-16-10)15-12(20)17-6-4-5-8(7-17)9(18)19/h8H,4-7H2,1-3H3,(H,18,19)(H,14,15,16,20)
InChIKeyRIDVUKIPJNAYRY-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.16
Rot. Bonds2

About 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid

1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122079292) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122079292
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)c1nsc(NC(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C13H20N4O3S/c1-13(2,3)10-14-11(21-16-10)15-12(20)17-6-4-5-8(7-17)9(18)19/h8H,4-7H2,1-3H3,(H,18,19)(H,14,15,16,20)
InChIKeyRIDVUKIPJNAYRY-UHFFFAOYSA-N
XLogP2.16
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270882
1-[(1-tert-butyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089621
(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81119979
1-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122090838
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122084976
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide
CID 166328524
1-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122079257
N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 116658033
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122079292) is 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid is CC(C)(C)c1nsc(NC(=O)N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is RIDVUKIPJNAYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-13(2,3)10-14-11(21-16-10)15-12(20)17-6-4-5-8(7-17)9(18)19/h8H,4-7H2,1-3H3,(H,18,19)(H,14,15,16,20).
What are the key properties of 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid?
1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 312.40 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122079292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).