2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole

C18H18N4OS — CID 178050897

IUPAC2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole
SMILESCc1nc2ccc(-c3cn4cc(C5CCNCC5)nc4s3)cc2o1
InChIInChI=1S/C18H18N4OS/c1-11-20-14-3-2-13(8-16(14)23-11)17-10-22-9-15(21-18(22)24-17)12-4-6-19-7-5-12/h2-3,8-10,12,19H,4-7H2,1H3
InChIKeyBHJOWWAFDMGXTD-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.98
Rot. Bonds2

About 2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole

2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole (PubChem CID 178050897) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole
PubChem CID178050897
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole
SMILESCc1nc2ccc(-c3cn4cc(C5CCNCC5)nc4s3)cc2o1
InChIInChI=1S/C18H18N4OS/c1-11-20-14-3-2-13(8-16(14)23-11)17-10-22-9-15(21-18(22)24-17)12-4-6-19-7-5-12/h2-3,8-10,12,19H,4-7H2,1H3
InChIKeyBHJOWWAFDMGXTD-UHFFFAOYSA-N
XLogP3.98
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole 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

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050785
2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178051054
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050866
2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050953
6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050596
2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole
CID 116925708
2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile
CID 178050698
(2S,3S)-2-[4-(2-methyl-1,3-benzoxazol-6-yl)phenyl]pyrrolidin-3-ol
CID 154807919
6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050682
5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline
CID 142492349
2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
CID 116925486
tert-butyl 4-[2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050642

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole (CID 178050897) is 2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole is Cc1nc2ccc(-c3cn4cc(C5CCNCC5)nc4s3)cc2o1.
What is the InChIKey of 2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole?
The InChIKey is BHJOWWAFDMGXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-11-20-14-3-2-13(8-16(14)23-11)17-10-22-9-15(21-18(22)24-17)12-4-6-19-7-5-12/h2-3,8-10,12,19H,4-7H2,1H3.
What are the key properties of 2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole?
2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole has a molecular weight of 338.44 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 178050897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).