6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine

C14H10F3N3OS — CID 141479040

IUPAC6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESCOc1ncc(-c2ccc3nc(N)sc3c2)cc1C(F)(F)F
InChIInChI=1S/C14H10F3N3OS/c1-21-12-9(14(15,16)17)4-8(6-19-12)7-2-3-10-11(5-7)22-13(18)20-10/h2-6H,1H3,(H2,18,20)
InChIKeyFDDNHMNZAWKQJX-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.97
Rot. Bonds2

About 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine

6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine (PubChem CID 141479040) has the molecular formula C14H10F3N3OS and a molecular weight of 325.32 g/mol. Its IUPAC name is 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
PubChem CID141479040
Molecular FormulaC14H10F3N3OS
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC Name6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESCOc1ncc(-c2ccc3nc(N)sc3c2)cc1C(F)(F)F
InChIInChI=1S/C14H10F3N3OS/c1-21-12-9(14(15,16)17)4-8(6-19-12)7-2-3-10-11(5-7)22-13(18)20-10/h2-6H,1H3,(H2,18,20)
InChIKeyFDDNHMNZAWKQJX-UHFFFAOYSA-N
XLogP3.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine (CID 141479040) is 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine is COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(F)(F)F.
What is the InChIKey of 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The InChIKey is FDDNHMNZAWKQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS/c1-21-12-9(14(15,16)17)4-8(6-19-12)7-2-3-10-11(5-7)22-13(18)20-10/h2-6H,1H3,(H2,18,20).
What are the key properties of 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine has a molecular weight of 325.32 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 141479040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).