[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C15H20N4OS — CID 56779121

IUPAC[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2csc(C)n2)c1
InChIInChI=1S/C15H20N4OS/c1-11-7-16-18(8-11)9-13-5-3-4-6-19(13)15(20)14-10-21-12(2)17-14/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyMGNAZTGMMZITEM-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.65
Rot. Bonds3

About [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 56779121) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID56779121
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2csc(C)n2)c1
InChIInChI=1S/C15H20N4OS/c1-11-7-16-18(8-11)9-13-5-3-4-6-19(13)15(20)14-10-21-12(2)17-14/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyMGNAZTGMMZITEM-UHFFFAOYSA-N
XLogP2.65
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 56779121) is [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1cnn(CC2CCCCN2C(=O)c2csc(C)n2)c1.
What is the InChIKey of [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is MGNAZTGMMZITEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-7-16-18(8-11)9-13-5-3-4-6-19(13)15(20)14-10-21-12(2)17-14/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 304.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 56779121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).