N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide

C15H10F4N4OS — CID 59251718

IUPACN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)c(F)c2s1
InChIInChI=1S/C15H10F4N4OS/c1-6(24)22-14-23-10-3-2-8(11(16)12(10)25-14)7-4-9(15(17,18)19)13(20)21-5-7/h2-5H,1H3,(H2,20,21)(H,22,23,24)
InChIKeyWJXLZQSHIAGNAQ-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.06
Rot. Bonds2

About N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide (PubChem CID 59251718) has the molecular formula C15H10F4N4OS and a molecular weight of 370.33 g/mol. Its IUPAC name is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide
PubChem CID59251718
Molecular FormulaC15H10F4N4OS
Molecular Weight370.33 g/mol
Exact Mass370.05
IUPAC NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)c(F)c2s1
InChIInChI=1S/C15H10F4N4OS/c1-6(24)22-14-23-10-3-2-8(11(16)12(10)25-14)7-4-9(15(17,18)19)13(20)21-5-7/h2-5H,1H3,(H2,20,21)(H,22,23,24)
InChIKeyWJXLZQSHIAGNAQ-UHFFFAOYSA-N
XLogP4.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.06
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-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide (CID 59251718) is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)c(F)c2s1.
What is the InChIKey of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is WJXLZQSHIAGNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4OS/c1-6(24)22-14-23-10-3-2-8(11(16)12(10)25-14)7-4-9(15(17,18)19)13(20)21-5-7/h2-5H,1H3,(H2,20,21)(H,22,23,24).
What are the key properties of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide?
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 370.33 g/mol, XLogP of 4.06, 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-5-(trifluoromethyl)-3-pyridinyl]-7-fluoro-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 59251718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).