(1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone

C24H28N6OS — CID 92589232

IUPAC(1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
SMILESCCc1ccccc1Nc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3C)C2)c2sccn12
InChIInChI=1S/C24H28N6OS/c1-4-17-8-5-6-10-20(17)26-24-27-21(23-30(24)12-13-32-23)18-9-7-11-29(15-18)22(31)19-14-25-28(3)16(19)2/h5-6,8,10,12-14,18H,4,7,9,11,15H2,1-3H3,(H,26,27)/t18-/m1/s1
InChIKeyBAVLUZYXCVLXCX-GOSISDBHSA-N
MW448.60 g/mol
LogP4.76
Rot. Bonds5

About (1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone (PubChem CID 92589232) has the molecular formula C24H28N6OS and a molecular weight of 448.60 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
PubChem CID92589232
Molecular FormulaC24H28N6OS
Molecular Weight448.60 g/mol
Exact Mass448.20
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
SMILESCCc1ccccc1Nc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3C)C2)c2sccn12
InChIInChI=1S/C24H28N6OS/c1-4-17-8-5-6-10-20(17)26-24-27-21(23-30(24)12-13-32-23)18-9-7-11-29(15-18)22(31)19-14-25-28(3)16(19)2/h5-6,8,10,12-14,18H,4,7,9,11,15H2,1-3H3,(H,26,27)/t18-/m1/s1
InChIKeyBAVLUZYXCVLXCX-GOSISDBHSA-N
XLogP4.76
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.60
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3S)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]propan-1-one
CID 92589209
(1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 110216628
N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine
CID 110085428
[(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 92567129
[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 92588088
[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 110252642
(3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
CID 110239535
cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
CID 92568879
[(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
1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 110239562
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95814280
2-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136735500

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone?
The IUPAC name of (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) is (1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone is CCc1ccccc1Nc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3C)C2)c2sccn12.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone?
The InChIKey is BAVLUZYXCVLXCX-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28N6OS/c1-4-17-8-5-6-10-20(17)26-24-27-21(23-30(24)12-13-32-23)18-9-7-11-29(15-18)22(31)19-14-25-28(3)16(19)2/h5-6,8,10,12-14,18H,4,7,9,11,15H2,1-3H3,(H,26,27)/t18-/m1/s1.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone has a molecular weight of 448.60 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92589232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).