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

C14H13FN2O3S — CID 3239807

IUPAC5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C14H13FN2O3S/c15-10-6-4-9(5-7-10)11-8-21-14(16-11)17-12(18)2-1-3-13(19)20/h4-8H,1-3H2,(H,19,20)(H,16,17,18)
InChIKeyHUJQUAMDFQAAAP-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.14
Rot. Bonds6

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

5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid (PubChem CID 3239807) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
PubChem CID3239807
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C14H13FN2O3S/c15-10-6-4-9(5-7-10)11-8-21-14(16-11)17-12(18)2-1-3-13(19)20/h4-8H,1-3H2,(H,19,20)(H,16,17,18)
InChIKeyHUJQUAMDFQAAAP-UHFFFAOYSA-N
XLogP3.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid (CID 3239807) is 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is HUJQUAMDFQAAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c15-10-6-4-9(5-7-10)11-8-21-14(16-11)17-12(18)2-1-3-13(19)20/h4-8H,1-3H2,(H,19,20)(H,16,17,18).
What are the key properties of 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid?
5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 308.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 3239807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).