N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide

C16H15F3N4OS — CID 86899011

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
SMILESCCc1cc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)n[nH]1
InChIInChI=1S/C16H15F3N4OS/c1-2-10-8-13(23-22-10)21-14(24)5-6-15-20-11-7-9(16(17,18)19)3-4-12(11)25-15/h3-4,7-8H,2,5-6H2,1H3,(H2,21,22,23,24)
InChIKeyFKEMEQOEDJCZSB-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.17
Rot. Bonds5

About N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide

N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide (PubChem CID 86899011) has the molecular formula C16H15F3N4OS and a molecular weight of 368.38 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
PubChem CID86899011
Molecular FormulaC16H15F3N4OS
Molecular Weight368.38 g/mol
Exact Mass368.09
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
SMILESCCc1cc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)n[nH]1
InChIInChI=1S/C16H15F3N4OS/c1-2-10-8-13(23-22-10)21-14(24)5-6-15-20-11-7-9(16(17,18)19)3-4-12(11)25-15/h3-4,7-8H,2,5-6H2,1H3,(H2,21,22,23,24)
InChIKeyFKEMEQOEDJCZSB-UHFFFAOYSA-N
XLogP4.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-difluoro-4-methoxyphenyl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
CID 86897505
2,2-dimethyl-N-[2-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanoylamino]ethyl]propanamide
CID 86897594
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
CID 86898439
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide
CID 115744341
2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine
CID 60835878
N-methyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propan-1-amine
CID 43152023
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride
CID 155821832
N-[1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanoyl]piperidin-4-yl]ethanesulfonamide
CID 86898480
[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl formate
CID 174767325
3-(4-ethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215997
N-(5-ethyl-1H-pyrazol-3-yl)-3-pyridin-3-ylpropanamide
CID 47423313
N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide
CID 18932173

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide (CID 86899011) is N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide is CCc1cc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide?
The InChIKey is FKEMEQOEDJCZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4OS/c1-2-10-8-13(23-22-10)21-14(24)5-6-15-20-11-7-9(16(17,18)19)3-4-12(11)25-15/h3-4,7-8H,2,5-6H2,1H3,(H2,21,22,23,24).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide?
N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide has a molecular weight of 368.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide is sourced from PubChem (CID 86899011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).