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

C18H23N5OS — CID 92564083

IUPAC[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CCC[C@H](c2nc(C)n3c(C)csc23)C1
InChIInChI=1S/C18H23N5OS/c1-11-10-25-18-16(19-13(3)23(11)18)14-6-5-7-22(8-14)17(24)15-9-21(4)20-12(15)2/h9-10,14H,5-8H2,1-4H3/t14-/m0/s1
InChIKeyVVZIVILWTFBUAZ-AWEZNQCLSA-N
MW357.48 g/mol
LogP3.07
Rot. Bonds2

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

[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 92564083) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
PubChem CID92564083
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CCC[C@H](c2nc(C)n3c(C)csc23)C1
InChIInChI=1S/C18H23N5OS/c1-11-10-25-18-16(19-13(3)23(11)18)14-6-5-7-22(8-14)17(24)15-9-21(4)20-12(15)2/h9-10,14H,5-8H2,1-4H3/t14-/m0/s1
InChIKeyVVZIVILWTFBUAZ-AWEZNQCLSA-N
XLogP3.07
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 92564091
1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 92564064
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 95845498
(2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 92564036
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813935
(1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110235100
(1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 110216628
6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264214
(1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110252635
[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 97193355
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148152
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone (CID 92564083) is [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone is Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nc(C)n3c(C)csc23)C1.
What is the InChIKey of [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is VVZIVILWTFBUAZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-11-10-25-18-16(19-13(3)23(11)18)14-6-5-7-22(8-14)17(24)15-9-21(4)20-12(15)2/h9-10,14H,5-8H2,1-4H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone?
[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone has a molecular weight of 357.48 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 92564083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).