(3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid

C10H13N3O3S — CID 28777967

IUPAC(3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCc1nnsc1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H13N3O3S/c1-6-8(17-12-11-6)9(14)13-4-2-3-7(5-13)10(15)16/h7H,2-5H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyPSANJMRIORRZPE-SSDOTTSWSA-N
MW255.30 g/mol
LogP0.78
Rot. Bonds2

About (3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 28777967) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is (3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID28777967
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name(3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCc1nnsc1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H13N3O3S/c1-6-8(17-12-11-6)9(14)13-4-2-3-7(5-13)10(15)16/h7H,2-5H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyPSANJMRIORRZPE-SSDOTTSWSA-N
XLogP0.78
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 46944219
2-Methyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 46948531
{(3R*,5R*)-5-{[(2-methoxyethyl)(methyl)amino]methyl}-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinyl}methanol
CID 72941390
Methyl 6-(4-methyl-1,2,3-thiadiazole-5-carbonyl)-6-azaspiro[2.5]octane-1-carboxylate
CID 119103933
Ethyl 1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 3879539
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 7576694
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 7576695
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 7576696
[(3S)-3-methylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 7576702
[(3R)-3-methylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 7576703
ethyl (3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 7576715
ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 7576717

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid (CID 28777967) is (3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid is Cc1nnsc1C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is PSANJMRIORRZPE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-6-8(17-12-11-6)9(14)13-4-2-3-7(5-13)10(15)16/h7H,2-5H2,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 28777967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).