2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

C11H10F3N3OS — CID 99799576

IUPAC2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1ccc2sncc2c1)NCC(F)(F)F
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)6-16-10(18)5-15-8-1-2-9-7(3-8)4-17-19-9/h1-4,15H,5-6H2,(H,16,18)
InChIKeyWPJVENJURHNNGN-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.39
Rot. Bonds4

About 2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 99799576) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID99799576
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1ccc2sncc2c1)NCC(F)(F)F
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)6-16-10(18)5-15-8-1-2-9-7(3-8)4-17-19-9/h1-4,15H,5-6H2,(H,16,18)
InChIKeyWPJVENJURHNNGN-UHFFFAOYSA-N
XLogP2.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 99799576) is 2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNc1ccc2sncc2c1)NCC(F)(F)F.
What is the InChIKey of 2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WPJVENJURHNNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c12-11(13,14)6-16-10(18)5-15-8-1-2-9-7(3-8)4-17-19-9/h1-4,15H,5-6H2,(H,16,18).
What are the key properties of 2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 289.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzothiazol-5-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 99799576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).