2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid

C15H13ClF2N2O4S — CID 24957929

IUPAC2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(Oc1cc(F)ccc1F)C(=O)Nc1nc(CC(=O)O)c(Cl)s1
InChIInChI=1S/C15H13ClF2N2O4S/c1-15(2,24-10-5-7(17)3-4-8(10)18)13(23)20-14-19-9(6-11(21)22)12(16)25-14/h3-5H,6H2,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyBYZZUWQNUNLLQA-UHFFFAOYSA-N
MW390.80 g/mol
LogP3.50
Rot. Bonds6

About 2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid

2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 24957929) has the molecular formula C15H13ClF2N2O4S and a molecular weight of 390.80 g/mol. Its IUPAC name is 2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID24957929
Molecular FormulaC15H13ClF2N2O4S
Molecular Weight390.80 g/mol
Exact Mass390.03
IUPAC Name2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(Oc1cc(F)ccc1F)C(=O)Nc1nc(CC(=O)O)c(Cl)s1
InChIInChI=1S/C15H13ClF2N2O4S/c1-15(2,24-10-5-7(17)3-4-8(10)18)13(23)20-14-19-9(6-11(21)22)12(16)25-14/h3-5H,6H2,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyBYZZUWQNUNLLQA-UHFFFAOYSA-N
XLogP3.50
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid;2-[5-chloro-2-[[2-methyl-2-(3-nitrophenoxy)propanoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 87417864
2-(1,3-benzodioxol-5-yloxy)-N-[5-chloro-4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 87418574
2-[2-[[2-[(2-benzyl-1,3-dioxol-4-yl)oxy]-2-methylpropanoyl]amino]-5-chloro-1,3-thiazol-4-yl]acetic acid
CID 87418696
2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 43980508
2-(4-chlorophenoxy)-2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17321003
2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 1308911
2-(4-chlorophenoxy)-N-[5-[(3,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100519904
2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-methylsulfonyl-1,3-thiazol-4-yl]acetic acid
CID 87229934
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
CID 30307866
2-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-hydroxyphenyl]acetic acid
CID 108764184
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 16549557
2-[5-chloro-2-[[1-[(4-chlorophenyl)methyl]-4-(1-hydroxy-2-methylpropyl)pyrrole-2-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 87418819

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid (CID 24957929) is 2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid is CC(C)(Oc1cc(F)ccc1F)C(=O)Nc1nc(CC(=O)O)c(Cl)s1.
What is the InChIKey of 2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is BYZZUWQNUNLLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O4S/c1-15(2,24-10-5-7(17)3-4-8(10)18)13(23)20-14-19-9(6-11(21)22)12(16)25-14/h3-5H,6H2,1-2H3,(H,21,22)(H,19,20,23).
What are the key properties of 2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid?
2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 390.80 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[[2-(2,5-difluorophenoxy)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 24957929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).