5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid

C8H10N2O3S — CID 719801

IUPAC5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1nccs1
InChIInChI=1S/C8H10N2O3S/c11-6(2-1-3-7(12)13)10-8-9-4-5-14-8/h4-5H,1-3H2,(H,12,13)(H,9,10,11)
InChIKeyKIGCPAJFAFXJHS-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.34
Rot. Bonds5

About 5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid

5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid (PubChem CID 719801) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid
PubChem CID719801
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1nccs1
InChIInChI=1S/C8H10N2O3S/c11-6(2-1-3-7(12)13)10-8-9-4-5-14-8/h4-5H,1-3H2,(H,12,13)(H,9,10,11)
InChIKeyKIGCPAJFAFXJHS-UHFFFAOYSA-N
XLogP1.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid (CID 719801) is 5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid is O=C(O)CCCC(=O)Nc1nccs1.
What is the InChIKey of 5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid?
The InChIKey is KIGCPAJFAFXJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c11-6(2-1-3-7(12)13)10-8-9-4-5-14-8/h4-5H,1-3H2,(H,12,13)(H,9,10,11).
What are the key properties of 5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid?
5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid has a molecular weight of 214.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid is sourced from PubChem (CID 719801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).