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

C15H20N4OS — CID 95603369

IUPAC[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1cnn(C[C@H]2CCCCN2C(=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/t13-/m1/s1
InChIKeyMGNAZTGMMZITEM-CYBMUJFWSA-N
MW304.42 g/mol
LogP2.65
Rot. Bonds3

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

[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 95603369) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID95603369
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1cnn(C[C@H]2CCCCN2C(=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/t13-/m1/s1
InChIKeyMGNAZTGMMZITEM-CYBMUJFWSA-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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Related Compounds

[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732
1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 79553449
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299
imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603261
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile
CID 95603426
2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56779107
[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56779011
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603251
1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 56778999
(5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56779131
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95603260
2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 95605633

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 95603369) is [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1cnn(C[C@H]2CCCCN2C(=O)c2csc(C)n2)c1.
What is the InChIKey of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is MGNAZTGMMZITEM-CYBMUJFWSA-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/t13-/m1/s1.
What are the key properties of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[(2R)-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 [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95603369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).