(1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

C17H21N5OS — CID 110216628

IUPAC(1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC(c3nc(C)n4ccsc34)C2)cnn1C
InChIInChI=1S/C17H21N5OS/c1-11-14(9-18-20(11)3)16(23)21-6-4-5-13(10-21)15-17-22(7-8-24-17)12(2)19-15/h7-9,13H,4-6,10H2,1-3H3
InChIKeyYUPPOYAOEUZCRR-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.77
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (PubChem CID 110216628) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
PubChem CID110216628
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC(c3nc(C)n4ccsc34)C2)cnn1C
InChIInChI=1S/C17H21N5OS/c1-11-14(9-18-20(11)3)16(23)21-6-4-5-13(10-21)15-17-22(7-8-24-17)12(2)19-15/h7-9,13H,4-6,10H2,1-3H3
InChIKeyYUPPOYAOEUZCRR-UHFFFAOYSA-N
XLogP2.77
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
CID 92589232
2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92564268
4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 110216631
(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 80659902
(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
CID 92564845
2-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136735500
[(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92622699
[3-(2-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 63767651
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95814280
[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 92564083
[(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 92567129
(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 92564313

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (CID 110216628) is (1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCCC(c3nc(C)n4ccsc34)C2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The InChIKey is YUPPOYAOEUZCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-11-14(9-18-20(11)3)16(23)21-6-4-5-13(10-21)15-17-22(7-8-24-17)12(2)19-15/h7-9,13H,4-6,10H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone has a molecular weight of 343.46 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110216628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).