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

C14H13FN2O3S — CID 3431018

IUPAC4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
SMILESCc1sc(NC(=O)CCC(=O)O)nc1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3S/c1-8-13(9-2-4-10(15)5-3-9)17-14(21-8)16-11(18)6-7-12(19)20/h2-5H,6-7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyWFJZDTGTNLROSX-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.06
Rot. Bonds5

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

4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid (PubChem CID 3431018) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
PubChem CID3431018
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
SMILESCc1sc(NC(=O)CCC(=O)O)nc1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3S/c1-8-13(9-2-4-10(15)5-3-9)17-14(21-8)16-11(18)6-7-12(19)20/h2-5H,6-7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyWFJZDTGTNLROSX-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 6464387
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
CID 119681442
2-cyano-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 167954925
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036011
2-(cyclopropylmethylamino)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 119681458
4-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 19219149
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid (CID 3431018) is 4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid is Cc1sc(NC(=O)CCC(=O)O)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is WFJZDTGTNLROSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-8-13(9-2-4-10(15)5-3-9)17-14(21-8)16-11(18)6-7-12(19)20/h2-5H,6-7H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 308.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 3431018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).