(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C12H15N5OS — CID 70769853

IUPAC(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C12H15N5OS/c1-8-11(19-16-14-8)12(18)17-6-2-3-9(7-17)10-4-5-13-15-10/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyXCDDJFDTEJJVGH-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.59
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 70769853) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID70769853
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C12H15N5OS/c1-8-11(19-16-14-8)12(18)17-6-2-3-9(7-17)10-4-5-13-15-10/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyXCDDJFDTEJJVGH-UHFFFAOYSA-N
XLogP1.59
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845547
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 129356851
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
(2-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 80983810
(3-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 104852380
(4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 115745859
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 70769853) is (4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1nnsc1C(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is XCDDJFDTEJJVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8-11(19-16-14-8)12(18)17-6-2-3-9(7-17)10-4-5-13-15-10/h4-5,9H,2-3,6-7H2,1H3,(H,13,15).
What are the key properties of (4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 277.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70769853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).