2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid

C14H13FN2O3S — CID 93206259

IUPAC2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(NC(=O)Cc2ccc(F)cc2)sc1CC(=O)O
InChIInChI=1S/C14H13FN2O3S/c1-8-11(7-13(19)20)21-14(16-8)17-12(18)6-9-2-4-10(15)5-3-9/h2-5H,6-7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyXEKLROFDDXNZDP-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.40
Rot. Bonds5

About 2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid

2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 93206259) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID93206259
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(NC(=O)Cc2ccc(F)cc2)sc1CC(=O)O
InChIInChI=1S/C14H13FN2O3S/c1-8-11(7-13(19)20)21-14(16-8)17-12(18)6-9-2-4-10(15)5-3-9/h2-5H,6-7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyXEKLROFDDXNZDP-UHFFFAOYSA-N
XLogP2.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065147
2-[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82058768
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
N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
CID 56786830
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597284
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111
2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058765

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 93206259) is 2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid is Cc1nc(NC(=O)Cc2ccc(F)cc2)sc1CC(=O)O.
What is the InChIKey of 2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is XEKLROFDDXNZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-8-11(7-13(19)20)21-14(16-8)17-12(18)6-9-2-4-10(15)5-3-9/h2-5H,6-7H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 308.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 93206259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).