N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C15H10F3N3O2S2 — CID 143516408

IUPACN-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)Nc1nc2ccc(O)cc2s1
InChIInChI=1S/C15H10F3N3O2S2/c16-15(17,18)8-1-4-13(19-6-8)24-7-12(23)21-14-20-10-3-2-9(22)5-11(10)25-14/h1-6,22H,7H2,(H,20,21,23)
InChIKeyFWXPLYBHHDPWAW-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.15
Rot. Bonds4

About N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 143516408) has the molecular formula C15H10F3N3O2S2 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID143516408
Molecular FormulaC15H10F3N3O2S2
Molecular Weight385.39 g/mol
Exact Mass385.02
IUPAC NameN-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)Nc1nc2ccc(O)cc2s1
InChIInChI=1S/C15H10F3N3O2S2/c16-15(17,18)8-1-4-13(19-6-8)24-7-12(23)21-14-20-10-3-2-9(22)5-11(10)25-14/h1-6,22H,7H2,(H,20,21,23)
InChIKeyFWXPLYBHHDPWAW-UHFFFAOYSA-N
XLogP4.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55374613
N-(4-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 2824729
N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 31888958
N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590379
(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid
CID 87123446
N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411115
N-methyl-2-[4-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]phenyl]acetamide
CID 134004407
N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide
CID 55428851
N-(2-methylbutan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 47111305
3-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]propanoic acid
CID 119140122
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55490002
N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39765940

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 143516408) is N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is O=C(CSc1ccc(C(F)(F)F)cn1)Nc1nc2ccc(O)cc2s1.
What is the InChIKey of N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is FWXPLYBHHDPWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S2/c16-15(17,18)8-1-4-13(19-6-8)24-7-12(23)21-14-20-10-3-2-9(22)5-11(10)25-14/h1-6,22H,7H2,(H,20,21,23).
What are the key properties of N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 385.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 143516408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).