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

C17H21N5OS — CID 92564091

IUPAC[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1csc2c([C@H]3CCCN(C(=O)c4cnn(C)c4)C3)nc(C)n12
InChIInChI=1S/C17H21N5OS/c1-11-10-24-17-15(19-12(2)22(11)17)13-5-4-6-21(9-13)16(23)14-7-18-20(3)8-14/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m0/s1
InChIKeyGKKKBHSNJIZCFP-ZDUSSCGKSA-N
MW343.46 g/mol
LogP2.77
Rot. Bonds2

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

[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 92564091) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID92564091
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1csc2c([C@H]3CCCN(C(=O)c4cnn(C)c4)C3)nc(C)n12
InChIInChI=1S/C17H21N5OS/c1-11-10-24-17-15(19-12(2)22(11)17)13-5-4-6-21(9-13)16(23)14-7-18-20(3)8-14/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m0/s1
InChIKeyGKKKBHSNJIZCFP-ZDUSSCGKSA-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

Analyze [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 92564083
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110090247
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-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110257135
(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-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
[3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110110996
[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 125004251
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110256626
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
(1-methylpyrazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 129346418

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-methylpyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 92564091) is [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-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-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1csc2c([C@H]3CCCN(C(=O)c4cnn(C)c4)C3)nc(C)n12.
What is the InChIKey of [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is GKKKBHSNJIZCFP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-11-10-24-17-15(19-12(2)22(11)17)13-5-4-6-21(9-13)16(23)14-7-18-20(3)8-14/h7-8,10,13H,4-6,9H2,1-3H3/t13-/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-methylpyrazol-4-yl)methanone?
[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-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 [(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 92564091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).