3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C18H15ClF4N4O2S — CID 18916428

IUPAC3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c3nc(N4CCCCC4)sc23)c1=O
InChIInChI=1S/C18H15ClF4N4O2S/c1-25-11(18(21,22)23)8-12(28)27(17(25)29)14-10(20)7-9(19)13-15(14)30-16(24-13)26-5-3-2-4-6-26/h7-8H,2-6H2,1H3
InChIKeyHUERTEBEUDYMLC-UHFFFAOYSA-N
MW462.86 g/mol
LogP3.95
Rot. Bonds2

About 3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 18916428) has the molecular formula C18H15ClF4N4O2S and a molecular weight of 462.86 g/mol. Its IUPAC name is 3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID18916428
Molecular FormulaC18H15ClF4N4O2S
Molecular Weight462.86 g/mol
Exact Mass462.05
IUPAC Name3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c3nc(N4CCCCC4)sc23)c1=O
InChIInChI=1S/C18H15ClF4N4O2S/c1-25-11(18(21,22)23)8-12(28)27(17(25)29)14-10(20)7-9(19)13-15(14)30-16(24-13)26-5-3-2-4-6-26/h7-8H,2-6H2,1H3
InChIKeyHUERTEBEUDYMLC-UHFFFAOYSA-N
XLogP3.95
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.86
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione 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

3-[2,4-Dichloro-6-fluorobenzothiazol-7-yl]-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione
CID 10938211
3-(4-chloro-6-fluoro-2-pyrrolidin-1-yl-1,3-benzothiazol-7-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 11112895
3-(4-Chloro-6-fluoro-2-pyrrolidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 11123201
4-Chloro-6-fluoro-7-isocyanato-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 11808638
3-[4-Chloro-6-fluoro-2-propoxybenzothiazol-7-yl]-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione
CID 15346179
3-[4-Chloro-6-fluoro-2-propoxybenzothiazol-7-yl]-1-methyl-6-trifluoromethyl-2,4(1H, 3H)-pyrimidinedione
CID 15346180
3-(4-Chloro-6-fluoro-2-methylsulfanyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 15346181
3-(4-chloro-6-fluoro-2-methylsulfanyl-1,3-benzothiazol-7-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 15346184
3-(2,4-Dichloro-6-fluoro-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18916390
1-Methyl-3-(2,4,6-trichloro-1,3-benzothiazol-7-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18916396
3-(4-Chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18916399
3-(4-Chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18916401

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 18916428) is 3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c3nc(N4CCCCC4)sc23)c1=O.
What is the InChIKey of 3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is HUERTEBEUDYMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF4N4O2S/c1-25-11(18(21,22)23)8-12(28)27(17(25)29)14-10(20)7-9(19)13-15(14)30-16(24-13)26-5-3-2-4-6-26/h7-8H,2-6H2,1H3.
What are the key properties of 3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 462.86 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-fluoro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 18916428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).