2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide

C13H12F3N3O2S — CID 135387018

IUPAC2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESNC(Cc1cscn1)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O2S/c14-13(15,16)21-10-3-1-2-8(4-10)19-12(20)11(17)5-9-6-22-7-18-9/h1-4,6-7,11H,5,17H2,(H,19,20)
InChIKeyDDBUWLIABDJYFZ-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.55
Rot. Bonds5

About 2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide

2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 135387018) has the molecular formula C13H12F3N3O2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
PubChem CID135387018
Molecular FormulaC13H12F3N3O2S
Molecular Weight331.32 g/mol
Exact Mass331.06
IUPAC Name2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESNC(Cc1cscn1)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O2S/c14-13(15,16)21-10-3-1-2-8(4-10)19-12(20)11(17)5-9-6-22-7-18-9/h1-4,6-7,11H,5,17H2,(H,19,20)
InChIKeyDDBUWLIABDJYFZ-UHFFFAOYSA-N
XLogP2.55
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 135386298
2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365
2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 62473347
(2R)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 104906851
2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 135387411
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
cyclopentyl 4-[[(2S)-2-amino-3-(1,3-thiazol-4-yl)propanoyl]amino]benzoate;hydrochloride
CID 154889798
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
(2R)-2-amino-3-[2-[(Z)-ethylidene(methyl)-λ4-sulfanyl]ethylamino]-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 142480012
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 142716778
(2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide
CID 129380466

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide (CID 135387018) is 2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide is NC(Cc1cscn1)C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is DDBUWLIABDJYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2S/c14-13(15,16)21-10-3-1-2-8(4-10)19-12(20)11(17)5-9-6-22-7-18-9/h1-4,6-7,11H,5,17H2,(H,19,20).
What are the key properties of 2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 331.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 135387018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).