N-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide

C12H8F3N3O2S — CID 882368

IUPACN-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESO=C(Nc1nccs1)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C12H8F3N3O2S/c13-12(14,15)10(20)17-8-4-2-1-3-7(8)9(19)18-11-16-5-6-21-11/h1-6H,(H,17,20)(H,16,18,19)
InChIKeyKUCONTQVMKQBSF-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.90
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide

N-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 882368) has the molecular formula C12H8F3N3O2S and a molecular weight of 315.28 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID882368
Molecular FormulaC12H8F3N3O2S
Molecular Weight315.28 g/mol
Exact Mass315.03
IUPAC NameN-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESO=C(Nc1nccs1)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C12H8F3N3O2S/c13-12(14,15)10(20)17-8-4-2-1-3-7(8)9(19)18-11-16-5-6-21-11/h1-6H,(H,17,20)(H,16,18,19)
InChIKeyKUCONTQVMKQBSF-UHFFFAOYSA-N
XLogP2.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 882368) is N-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide is O=C(Nc1nccs1)c1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is KUCONTQVMKQBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2S/c13-12(14,15)10(20)17-8-4-2-1-3-7(8)9(19)18-11-16-5-6-21-11/h1-6H,(H,17,20)(H,16,18,19).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
N-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 315.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 882368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).