2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid

C12H10F2N2O2S — CID 82065147

IUPAC2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(Nc2c(F)cccc2F)sc1CC(=O)O
InChIInChI=1S/C12H10F2N2O2S/c1-6-9(5-10(17)18)19-12(15-6)16-11-7(13)3-2-4-8(11)14/h2-4H,5H2,1H3,(H,15,16)(H,17,18)
InChIKeyASZWVQDHCKEZPW-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.10
Rot. Bonds4

About 2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid

2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82065147) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82065147
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(Nc2c(F)cccc2F)sc1CC(=O)O
InChIInChI=1S/C12H10F2N2O2S/c1-6-9(5-10(17)18)19-12(15-6)16-11-7(13)3-2-4-8(11)14/h2-4H,5H2,1H3,(H,15,16)(H,17,18)
InChIKeyASZWVQDHCKEZPW-UHFFFAOYSA-N
XLogP3.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,5-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065142
2-[2-(2,4-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065143
2-[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82058768
2-[4-methyl-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid
CID 82065133
2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 93206259
2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065111
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid
CID 82065114
2-[2-[(2,6-difluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 114929988
2-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82802807
2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058766

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 82065147) is 2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid is Cc1nc(Nc2c(F)cccc2F)sc1CC(=O)O.
What is the InChIKey of 2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is ASZWVQDHCKEZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c1-6-9(5-10(17)18)19-12(15-6)16-11-7(13)3-2-4-8(11)14/h2-4H,5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 284.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82065147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).