ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate

C14H21N3O3S — CID 115535606

IUPACethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2snnc2C(C)C)C1
InChIInChI=1S/C14H21N3O3S/c1-4-20-14(19)10-6-5-7-17(8-10)13(18)12-11(9(2)3)15-16-21-12/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyPABYSBDYHVSWMP-JTQLQIEISA-N
MW311.41 g/mol
LogP2.08
Rot. Bonds4

About ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate

ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate (PubChem CID 115535606) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
PubChem CID115535606
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nameethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2snnc2C(C)C)C1
InChIInChI=1S/C14H21N3O3S/c1-4-20-14(19)10-6-5-7-17(8-10)13(18)12-11(9(2)3)15-16-21-12/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyPABYSBDYHVSWMP-JTQLQIEISA-N
XLogP2.08
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate
CID 110676451
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide
CID 65205177
ethyl (3S)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxylate
CID 81345352
ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 61340323
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
ethyl 1-(4-methylthiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 4519203
ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate
CID 94809108
ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-3-carboxylate
CID 80642246
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
CID 79810016

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate (CID 115535606) is ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)c2snnc2C(C)C)C1.
What is the InChIKey of ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
The InChIKey is PABYSBDYHVSWMP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-20-14(19)10-6-5-7-17(8-10)13(18)12-11(9(2)3)15-16-21-12/h9-10H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate has a molecular weight of 311.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 115535606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).