2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid

C14H11ClF3N3O3S — CID 59802435

IUPAC2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H11ClF3N3O3S/c15-10-2-1-7(3-9(10)14(16,17)18)20-13-21-8(6-25-13)4-11(22)19-5-12(23)24/h1-3,6H,4-5H2,(H,19,22)(H,20,21)(H,23,24)
InChIKeyYHHWHVHZNFKMJN-UHFFFAOYSA-N
MW393.77 g/mol
LogP3.30
Rot. Bonds6

About 2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid

2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid (PubChem CID 59802435) has the molecular formula C14H11ClF3N3O3S and a molecular weight of 393.77 g/mol. Its IUPAC name is 2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
PubChem CID59802435
Molecular FormulaC14H11ClF3N3O3S
Molecular Weight393.77 g/mol
Exact Mass393.02
IUPAC Name2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H11ClF3N3O3S/c15-10-2-1-7(3-9(10)14(16,17)18)20-13-21-8(6-25-13)4-11(22)19-5-12(23)24/h1-3,6H,4-5H2,(H,19,22)(H,20,21)(H,23,24)
InChIKeyYHHWHVHZNFKMJN-UHFFFAOYSA-N
XLogP3.30
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.77
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)acetamide
CID 89390536
2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 59802438
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 59802440
2-[4-chloro-N-[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]-3-(trifluoromethyl)anilino]-2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
CID 87750032
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
CID 80574105
N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940704
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27667849
N-methyl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30859922
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 1133217
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 135708635

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid (CID 59802435) is 2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The InChIKey is YHHWHVHZNFKMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O3S/c15-10-2-1-7(3-9(10)14(16,17)18)20-13-21-8(6-25-13)4-11(22)19-5-12(23)24/h1-3,6H,4-5H2,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid has a molecular weight of 393.77 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 59802435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).