4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid

C14H21N3O3S — CID 65204507

IUPAC4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2snnc2C(C)C)CC1
InChIInChI=1S/C14H21N3O3S/c1-4-14(13(19)20)5-7-17(8-6-14)12(18)11-10(9(2)3)15-16-21-11/h9H,4-8H2,1-3H3,(H,19,20)
InChIKeyFIBREJQQCWGNFH-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.38
Rot. Bonds4

About 4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid

4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 65204507) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID65204507
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2snnc2C(C)C)CC1
InChIInChI=1S/C14H21N3O3S/c1-4-14(13(19)20)5-7-17(8-6-14)12(18)11-10(9(2)3)15-16-21-11/h9H,4-8H2,1-3H3,(H,19,20)
InChIKeyFIBREJQQCWGNFH-UHFFFAOYSA-N
XLogP2.38
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one
CID 65204766
3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65204553
4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 65214766
1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 65205242
N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059620
4-ethyl-2-methyl-5-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56757630
4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 65204851
[4-(2-bromoethoxy)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 82701844
ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 115535606
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 81209564
4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 63125222
(3S)-1-(4-ethylthiadiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124512514

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid (CID 65204507) is 4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2snnc2C(C)C)CC1.
What is the InChIKey of 4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is FIBREJQQCWGNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-14(13(19)20)5-7-17(8-6-14)12(18)11-10(9(2)3)15-16-21-11/h9H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid?
4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65204507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).