N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H15F3N6O2S — CID 37095235

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)Nc3nc4c(C)cc(C)cc4s3)c2C(F)(F)F)nn1
InChIInChI=1S/C19H15F3N6O2S/c1-9-6-10(2)15-12(7-9)31-18(24-15)25-17(29)11-8-23-28(16(11)19(20,21)22)13-4-5-14(30-3)27-26-13/h4-8H,1-3H3,(H,24,25,29)
InChIKeyFUVPLVIXZHJFAP-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.17
Rot. Bonds4

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 37095235) has the molecular formula C19H15F3N6O2S and a molecular weight of 448.43 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID37095235
Molecular FormulaC19H15F3N6O2S
Molecular Weight448.43 g/mol
Exact Mass448.09
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)Nc3nc4c(C)cc(C)cc4s3)c2C(F)(F)F)nn1
InChIInChI=1S/C19H15F3N6O2S/c1-9-6-10(2)15-12(7-9)31-18(24-15)25-17(29)11-8-23-28(16(11)19(20,21)22)13-4-5-14(30-3)27-26-13/h4-8H,1-3H3,(H,24,25,29)
InChIKeyFUVPLVIXZHJFAP-UHFFFAOYSA-N
XLogP4.17
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide 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

N-(3-fluoro-5-methylphenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 99700763
1-(6-methoxypyridazin-3-yl)-N-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86919850
N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46530877
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 24666202
1-(6-methoxypyridazin-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55542904
N-[4-(azepan-1-yl)phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55545330
1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 36701571
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55798164
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 813916
1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46634730
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 17334899
1-(6-methoxypyridazin-3-yl)-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 34808239

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 37095235) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(-n2ncc(C(=O)Nc3nc4c(C)cc(C)cc4s3)c2C(F)(F)F)nn1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is FUVPLVIXZHJFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O2S/c1-9-6-10(2)15-12(7-9)31-18(24-15)25-17(29)11-8-23-28(16(11)19(20,21)22)13-4-5-14(30-3)27-26-13/h4-8H,1-3H3,(H,24,25,29).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 448.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 37095235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).