2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide

C16H12F3N3OS — CID 99799572

IUPAC2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc2sncc2c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)11-1-3-12(4-2-11)22-15(23)9-20-13-5-6-14-10(7-13)8-21-24-14/h1-8,20H,9H2,(H,22,23)
InChIKeyIWQRXURKCSWQTD-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.37
Rot. Bonds4

About 2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 99799572) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is 2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID99799572
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC Name2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc2sncc2c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)11-1-3-12(4-2-11)22-15(23)9-20-13-5-6-14-10(7-13)8-21-24-14/h1-8,20H,9H2,(H,22,23)
InChIKeyIWQRXURKCSWQTD-UHFFFAOYSA-N
XLogP4.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.37
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-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 99799572) is 2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CNc1ccc2sncc2c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IWQRXURKCSWQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c17-16(18,19)11-1-3-12(4-2-11)22-15(23)9-20-13-5-6-14-10(7-13)8-21-24-14/h1-8,20H,9H2,(H,22,23).
What are the key properties of 2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(1,2-benzothiazol-5-ylamino)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 351.35 g/mol, XLogP of 4.37, 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-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 99799572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).