[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C13H17N5OS — CID 129356851

IUPAC[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC[C@@H](c2ccn(C)n2)C1
InChIInChI=1S/C13H17N5OS/c1-9-12(20-16-14-9)13(19)18-6-3-4-10(8-18)11-5-7-17(2)15-11/h5,7,10H,3-4,6,8H2,1-2H3/t10-/m1/s1
InChIKeyIVCGESIVPXSROU-SNVBAGLBSA-N
MW291.38 g/mol
LogP1.60
Rot. Bonds2

About [(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 129356851) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is [(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID129356851
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC[C@@H](c2ccn(C)n2)C1
InChIInChI=1S/C13H17N5OS/c1-9-12(20-16-14-9)13(19)18-6-3-4-10(8-18)11-5-7-17(2)15-11/h5,7,10H,3-4,6,8H2,1-2H3/t10-/m1/s1
InChIKeyIVCGESIVPXSROU-SNVBAGLBSA-N
XLogP1.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70769853
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
(5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119103878
[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 119103853
[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 129356165
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
1-benzothiophen-2-yl-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119103885
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 96572365
(4-methylthiadiazol-5-yl)-[(3S)-3-[(5S,7S)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 137072598
(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 25380199
(4-methylthiadiazol-5-yl)-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 97426996
(4-methylthiadiazol-5-yl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 72717117

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 129356851) is [(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC[C@@H](c2ccn(C)n2)C1.
What is the InChIKey of [(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is IVCGESIVPXSROU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9-12(20-16-14-9)13(19)18-6-3-4-10(8-18)11-5-7-17(2)15-11/h5,7,10H,3-4,6,8H2,1-2H3/t10-/m1/s1.
What are the key properties of [(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 291.38 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 129356851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).