(4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone

C11H17N3OS — CID 51726055

IUPAC(4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@@H](C)C1
InChIInChI=1S/C11H17N3OS/c1-3-9-10(16-13-12-9)11(15)14-6-4-5-8(2)7-14/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyMYXWVBRMTIKABS-MRVPVSSYSA-N
MW239.34 g/mol
LogP1.97
Rot. Bonds2

About (4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 51726055) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID51726055
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@@H](C)C1
InChIInChI=1S/C11H17N3OS/c1-3-9-10(16-13-12-9)11(15)14-6-4-5-8(2)7-14/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyMYXWVBRMTIKABS-MRVPVSSYSA-N
XLogP1.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 2746451
4-ethyl-N-(2-piperidin-1-ylethyl)thiadiazole-5-carboxamide
CID 45893429
4-Ethyl-N-[2-(1-isopropylpiperidin-3-YL)ethyl]-1,2,3-thiadiazole-5-carboxamide
CID 56701372
N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
CID 51073256
(2,6-Dimethylmorpholin-4-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 45796002
4-ethyl-N-[2-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
CID 45819986
1-[4-(4-Ethylthiadiazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 53505982
4-ethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide
CID 93618229
(4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 94202934
4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 95209726
(4-Ethylthiadiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 45863284
(4-ethylthiadiazol-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51929052

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone (CID 51726055) is (4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCC[C@@H](C)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is MYXWVBRMTIKABS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-9-10(16-13-12-9)11(15)14-6-4-5-8(2)7-14/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 239.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 51726055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).