N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C15H13F3N4O2S — CID 155961991

IUPACN-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCOc1nc2ccc(NC(=O)C(C)n3ccc(C(F)(F)F)n3)cc2s1
InChIInChI=1S/C15H13F3N4O2S/c1-8(22-6-5-12(21-22)15(16,17)18)13(23)19-9-3-4-10-11(7-9)25-14(20-10)24-2/h3-8H,1-2H3,(H,19,23)
InChIKeyFQYODGFZUFBOCM-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.72
Rot. Bonds4

About N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 155961991) has the molecular formula C15H13F3N4O2S and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID155961991
Molecular FormulaC15H13F3N4O2S
Molecular Weight370.36 g/mol
Exact Mass370.07
IUPAC NameN-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCOc1nc2ccc(NC(=O)C(C)n3ccc(C(F)(F)F)n3)cc2s1
InChIInChI=1S/C15H13F3N4O2S/c1-8(22-6-5-12(21-22)15(16,17)18)13(23)19-9-3-4-10-11(7-9)25-14(20-10)24-2/h3-8H,1-2H3,(H,19,23)
InChIKeyFQYODGFZUFBOCM-UHFFFAOYSA-N
XLogP3.72
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 35327611
N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 136556916
N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 136557445
methyl 1,3-dimethyl-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate
CID 110280782
(2S)-N-(2-methylsulfanylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 96540208
(2R)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 95752917
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155953596
N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147775
[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]carbamic acid
CID 138505851
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534835
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 155961991) is N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is COc1nc2ccc(NC(=O)C(C)n3ccc(C(F)(F)F)n3)cc2s1.
What is the InChIKey of N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is FQYODGFZUFBOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2S/c1-8(22-6-5-12(21-22)15(16,17)18)13(23)19-9-3-4-10-11(7-9)25-14(20-10)24-2/h3-8H,1-2H3,(H,19,23).
What are the key properties of N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 370.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 155961991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).