4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

C15H8ClF3N6S — CID 171789237

IUPAC4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1c(-c2nc3ccc(Cl)cc3s2)c(C(F)(F)F)nn1-c1ncccn1
InChIInChI=1S/C15H8ClF3N6S/c16-7-2-3-8-9(6-7)26-13(23-8)10-11(15(17,18)19)24-25(12(10)20)14-21-4-1-5-22-14/h1-6H,20H2
InChIKeyRCRKNTPFXVRFBH-UHFFFAOYSA-N
MW396.79 g/mol
LogP4.19
Rot. Bonds2

About 4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789237) has the molecular formula C15H8ClF3N6S and a molecular weight of 396.79 g/mol. Its IUPAC name is 4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789237
Molecular FormulaC15H8ClF3N6S
Molecular Weight396.79 g/mol
Exact Mass396.02
IUPAC Name4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1c(-c2nc3ccc(Cl)cc3s2)c(C(F)(F)F)nn1-c1ncccn1
InChIInChI=1S/C15H8ClF3N6S/c16-7-2-3-8-9(6-7)26-13(23-8)10-11(15(17,18)19)24-25(12(10)20)14-21-4-1-5-22-14/h1-6H,20H2
InChIKeyRCRKNTPFXVRFBH-UHFFFAOYSA-N
XLogP4.19
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine 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

4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789232
4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 66875265
4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 24849170
4-(6-chloro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 45361803
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762
1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
CID 71384169
6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
CID 134862335
6-chloro-2-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-benzothiazole
CID 15491096
2-(3-bromophenyl)-6-chloro-1,3-benzothiazole
CID 95910629
3-(6-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 79525122
1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789431
2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole
CID 102236316

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (CID 171789237) is 4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is Nc1c(-c2nc3ccc(Cl)cc3s2)c(C(F)(F)F)nn1-c1ncccn1.
What is the InChIKey of 4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is RCRKNTPFXVRFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N6S/c16-7-2-3-8-9(6-7)26-13(23-8)10-11(15(17,18)19)24-25(12(10)20)14-21-4-1-5-22-14/h1-6H,20H2.
What are the key properties of 4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 396.79 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).