3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole

C21H23FN4OS — CID 67698031

IUPAC3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
SMILESCc1cn2c(CCN3CCC(c4noc5cc(F)ccc45)CC3)c(C)sc2n1
InChIInChI=1S/C21H23FN4OS/c1-13-12-26-18(14(2)28-21(26)23-13)7-10-25-8-5-15(6-9-25)20-17-4-3-16(22)11-19(17)27-24-20/h3-4,11-12,15H,5-10H2,1-2H3
InChIKeyGDNNTCRCPDVZQC-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.72
Rot. Bonds4

About 3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole

3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole (PubChem CID 67698031) has the molecular formula C21H23FN4OS and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole.

Molecular Properties

Compound Name3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
PubChem CID67698031
Molecular FormulaC21H23FN4OS
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC Name3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
SMILESCc1cn2c(CCN3CCC(c4noc5cc(F)ccc45)CC3)c(C)sc2n1
InChIInChI=1S/C21H23FN4OS/c1-13-12-26-18(14(2)28-21(26)23-13)7-10-25-8-5-15(6-9-25)20-17-4-3-16(22)11-19(17)27-24-20/h3-4,11-12,15H,5-10H2,1-2H3
InChIKeyGDNNTCRCPDVZQC-UHFFFAOYSA-N
XLogP4.72
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-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

6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
6-fluoro-3-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]-1,2-benzoxazole
CID 163352118
N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide
CID 19372841
6-fluoro-3-[1-(4-pyrrol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole
CID 141322820
6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole
CID 138038779
6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole
CID 141322818
3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol
CID 18467342
4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 25206209
3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-b][1,2,4]triazin-4-ium 4-oxide
CID 91130376
3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-iodo-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 118501854
N-ethyl-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 156540523
6-fluoro-3-[1-[3-[4-(methoxymethyl)phenoxy]propyl]piperidin-4-yl]-1,2-benzoxazole
CID 140530485

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole?
The IUPAC name of 3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole (CID 67698031) is 3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole.
What is the SMILES notation for 3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole?
The canonical SMILES for 3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole is Cc1cn2c(CCN3CCC(c4noc5cc(F)ccc45)CC3)c(C)sc2n1.
What is the InChIKey of 3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole?
The InChIKey is GDNNTCRCPDVZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OS/c1-13-12-26-18(14(2)28-21(26)23-13)7-10-25-8-5-15(6-9-25)20-17-4-3-16(22)11-19(17)27-24-20/h3-4,11-12,15H,5-10H2,1-2H3.
What are the key properties of 3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole?
3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole has a molecular weight of 398.51 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole is sourced from PubChem (CID 67698031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).