2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide

C12H10F3N3O2S — CID 106383418

IUPAC2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESNc1c(C(=O)NCc2csc(=O)[nH]2)cccc1C(F)(F)F
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)8-3-1-2-7(9(8)16)10(19)17-4-6-5-21-11(20)18-6/h1-3,5H,4,16H2,(H,17,19)(H,18,20)
InChIKeyULXRMQUDWJWOFC-UHFFFAOYSA-N
MW317.29 g/mol
LogP1.97
Rot. Bonds3

About 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide

2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 106383418) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID106383418
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESNc1c(C(=O)NCc2csc(=O)[nH]2)cccc1C(F)(F)F
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)8-3-1-2-7(9(8)16)10(19)17-4-6-5-21-11(20)18-6/h1-3,5H,4,16H2,(H,17,19)(H,18,20)
InChIKeyULXRMQUDWJWOFC-UHFFFAOYSA-N
XLogP1.97
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106379162
2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106382415
2-amino-5-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 114181175
2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 107358887
3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
CID 106383773
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 114181781
2-fluoro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 104929955
2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide
CID 106241135
3-carbamothioyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106381453
2-amino-1-[2-amino-3-(trifluoromethyl)phenyl]ethanone
CID 105471934
3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
CID 106383250
3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 113341020

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide (CID 106383418) is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide is Nc1c(C(=O)NCc2csc(=O)[nH]2)cccc1C(F)(F)F.
What is the InChIKey of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ULXRMQUDWJWOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)8-3-1-2-7(9(8)16)10(19)17-4-6-5-21-11(20)18-6/h1-3,5H,4,16H2,(H,17,19)(H,18,20).
What are the key properties of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide?
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 317.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 106383418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).