N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C15H14F3N3O3S — CID 18151175

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc(COCC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O3S/c16-15(17,18)8-24-6-9-1-3-10(4-2-9)13(23)21-14-20-11(7-25-14)5-12(19)22/h1-4,7H,5-6,8H2,(H2,19,22)(H,20,21,23)
InChIKeyICPMMOWJQUZNOM-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.50
Rot. Bonds7

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 18151175) has the molecular formula C15H14F3N3O3S and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID18151175
Molecular FormulaC15H14F3N3O3S
Molecular Weight373.36 g/mol
Exact Mass373.07
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc(COCC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O3S/c16-15(17,18)8-24-6-9-1-3-10(4-2-9)13(23)21-14-20-11(7-25-14)5-12(19)22/h1-4,7H,5-6,8H2,(H2,19,22)(H,20,21,23)
InChIKeyICPMMOWJQUZNOM-UHFFFAOYSA-N
XLogP2.50
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 35849591
N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 35848386
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 33391273
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 26045727
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24666405
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 18282128
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 24666406
N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 39192369
4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567938

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 18151175) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is NC(=O)Cc1csc(NC(=O)c2ccc(COCC(F)(F)F)cc2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is ICPMMOWJQUZNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S/c16-15(17,18)8-24-6-9-1-3-10(4-2-9)13(23)21-14-20-11(7-25-14)5-12(19)22/h1-4,7H,5-6,8H2,(H2,19,22)(H,20,21,23).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 373.36 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 18151175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).