2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid

C15H18N2O2S — CID 21439938

IUPAC2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid
SMILESCCCn1cc(C(C)C(=O)O)s/c1=N\c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-3-9-17-10-13(11(2)14(18)19)20-15(17)16-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,18,19)/b16-15-
InChIKeyHRSNKNPBIYJDNS-NXVVXOECSA-N
MW290.39 g/mol
LogP3.38
Rot. Bonds5

About 2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid

2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid (PubChem CID 21439938) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid
PubChem CID21439938
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid
SMILESCCCn1cc(C(C)C(=O)O)s/c1=N\c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-3-9-17-10-13(11(2)14(18)19)20-15(17)16-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,18,19)/b16-15-
InChIKeyHRSNKNPBIYJDNS-NXVVXOECSA-N
XLogP3.38
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid (CID 21439938) is 2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid is CCCn1cc(C(C)C(=O)O)s/c1=N\c1ccccc1.
What is the InChIKey of 2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is HRSNKNPBIYJDNS-NXVVXOECSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-9-17-10-13(11(2)14(18)19)20-15(17)16-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,18,19)/b16-15-.
What are the key properties of 2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid?
2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 290.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylimino-3-propyl-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 21439938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).