(2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid

C10H13N3O3S — CID 28778051

IUPAC(2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESCc1nnsc1C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C10H13N3O3S/c1-6-8(17-12-11-6)9(14)13-5-3-2-4-7(13)10(15)16/h7H,2-5H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyMYZPISWNTQGTKR-ZETCQYMHSA-N
MW255.30 g/mol
LogP0.93
Rot. Bonds2

About (2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid (PubChem CID 28778051) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is (2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid
PubChem CID28778051
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name(2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESCc1nnsc1C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C10H13N3O3S/c1-6-8(17-12-11-6)9(14)13-5-3-2-4-7(13)10(15)16/h7H,2-5H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyMYZPISWNTQGTKR-ZETCQYMHSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid (CID 28778051) is (2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid is Cc1nnsc1C(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is MYZPISWNTQGTKR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-6-8(17-12-11-6)9(14)13-5-3-2-4-7(13)10(15)16/h7H,2-5H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 28778051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).