cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

C18H25N3OS — CID 95828336

IUPACcyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCc1sc2c([C@@H]3CCCN(C(=O)C4CCC4)C3)nc(C)n2c1C
InChIInChI=1S/C18H25N3OS/c1-11-12(2)23-18-16(19-13(3)21(11)18)15-8-5-9-20(10-15)17(22)14-6-4-7-14/h14-15H,4-10H2,1-3H3/t15-/m1/s1
InChIKeyBWJVYZLXKKCWEM-OAHLLOKOSA-N
MW331.49 g/mol
LogP3.83
Rot. Bonds2

About cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (PubChem CID 95828336) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
PubChem CID95828336
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Namecyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCc1sc2c([C@@H]3CCCN(C(=O)C4CCC4)C3)nc(C)n2c1C
InChIInChI=1S/C18H25N3OS/c1-11-12(2)23-18-16(19-13(3)21(11)18)15-8-5-9-20(10-15)17(22)14-6-4-7-14/h14-15H,4-10H2,1-3H3/t15-/m1/s1
InChIKeyBWJVYZLXKKCWEM-OAHLLOKOSA-N
XLogP3.83
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 92598278
2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 95811568
2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide
CID 95828012
2-[(3S)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide
CID 95828013
cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
CID 51896016
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92598280
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 92564091
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 110258686
1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 92598243
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (CID 95828336) is cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is Cc1sc2c([C@@H]3CCCN(C(=O)C4CCC4)C3)nc(C)n2c1C.
What is the InChIKey of cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The InChIKey is BWJVYZLXKKCWEM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-11-12(2)23-18-16(19-13(3)21(11)18)15-8-5-9-20(10-15)17(22)14-6-4-7-14/h14-15H,4-10H2,1-3H3/t15-/m1/s1.
What are the key properties of cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone has a molecular weight of 331.49 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95828336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).