4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid

C11H15N3O3S — CID 65214766

IUPAC4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C11H15N3O3S/c1-2-11(10(16)17)3-5-14(6-4-11)9(15)8-7-18-13-12-8/h7H,2-6H2,1H3,(H,16,17)
InChIKeyHSZZQZAVICUISU-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.26
Rot. Bonds3

About 4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid

4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 65214766) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID65214766
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C11H15N3O3S/c1-2-11(10(16)17)3-5-14(6-4-11)9(15)8-7-18-13-12-8/h7H,2-6H2,1H3,(H,16,17)
InChIKeyHSZZQZAVICUISU-UHFFFAOYSA-N
XLogP1.26
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 63125222
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 66389168
1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398682
4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 65204507
2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 154781945
(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
CID 166703611
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 61067356
13-acetyl-3-ethyl-9-(thiadiazole-4-carbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131687553
1-[1-(2-aminoethyl)imidazole-4-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 107498462
1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684521

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid (CID 65214766) is 4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2csnn2)CC1.
What is the InChIKey of 4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is HSZZQZAVICUISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-11(10(16)17)3-5-14(6-4-11)9(15)8-7-18-13-12-8/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid?
4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65214766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).