N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide

C15H11F3N4OS — CID 59251754

IUPACN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)cc3C(F)(F)F)cc2s1
InChIInChI=1S/C15H11F3N4OS/c1-7(23)21-14-22-11-3-2-8(4-12(11)24-14)9-6-20-13(19)5-10(9)15(16,17)18/h2-6H,1H3,(H2,19,20)(H,21,22,23)
InChIKeyYZRLFCWOTPRMSY-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.92
Rot. Bonds2

About N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 59251754) has the molecular formula C15H11F3N4OS and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID59251754
Molecular FormulaC15H11F3N4OS
Molecular Weight352.34 g/mol
Exact Mass352.06
IUPAC NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)cc3C(F)(F)F)cc2s1
InChIInChI=1S/C15H11F3N4OS/c1-7(23)21-14-22-11-3-2-8(4-12(11)24-14)9-6-20-13(19)5-10(9)15(16,17)18/h2-6H,1H3,(H2,19,20)(H,21,22,23)
InChIKeyYZRLFCWOTPRMSY-UHFFFAOYSA-N
XLogP3.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide (CID 59251754) is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cnc(N)cc3C(F)(F)F)cc2s1.
What is the InChIKey of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is YZRLFCWOTPRMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4OS/c1-7(23)21-14-22-11-3-2-8(4-12(11)24-14)9-6-20-13(19)5-10(9)15(16,17)18/h2-6H,1H3,(H2,19,20)(H,21,22,23).
What are the key properties of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 352.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 59251754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).