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

C14H8ClF4N3O2S — CID 18916401

IUPAC3-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1nc2c(Cl)cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c2s1
InChIInChI=1S/C14H8ClF4N3O2S/c1-5-20-10-6(15)3-7(16)11(12(10)25-5)22-9(23)4-8(14(17,18)19)21(2)13(22)24/h3-4H,1-2H3
InChIKeyOZWLDRMKAMLDBI-UHFFFAOYSA-N
MW393.75 g/mol
LogP3.27
Rot. Bonds1

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

3-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 18916401) has the molecular formula C14H8ClF4N3O2S and a molecular weight of 393.75 g/mol. Its IUPAC name is 3-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID18916401
Molecular FormulaC14H8ClF4N3O2S
Molecular Weight393.75 g/mol
Exact Mass393.00
IUPAC Name3-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1nc2c(Cl)cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c2s1
InChIInChI=1S/C14H8ClF4N3O2S/c1-5-20-10-6(15)3-7(16)11(12(10)25-5)22-9(23)4-8(14(17,18)19)21(2)13(22)24/h3-4H,1-2H3
InChIKeyOZWLDRMKAMLDBI-UHFFFAOYSA-N
XLogP3.27
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.75
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-chloro-6-fluoro-2-methyl-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
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-chloro-6-fluorobenzothiazol-7-yl)-1-methyl-6-trifluoromethyl-2,4-(1H,3H)-pyrimidinedione
CID 18916380
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-(2-chloro-6-fluorobenzothiazol-7-yl)-1-methyl-5-chloro-6-trifluoromethyl-2,4-(1H,3H)-pyrimidinedione
CID 18916402

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 18916401) is 3-(4-chloro-6-fluoro-2-methyl-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-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cc1nc2c(Cl)cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c2s1.
What is the InChIKey of 3-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is OZWLDRMKAMLDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4N3O2S/c1-5-20-10-6(15)3-7(16)11(12(10)25-5)22-9(23)4-8(14(17,18)19)21(2)13(22)24/h3-4H,1-2H3.
What are the key properties of 3-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 393.75 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 18916401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).