2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid

C15H18N2O2S — CID 3611794

IUPAC2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid
SMILESCCCCc1ccc(Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C15H18N2O2S/c1-2-3-4-11-5-7-12(8-6-11)16-15-17-13(10-20-15)9-14(18)19/h5-8,10H,2-4,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyVDMVUEDUXDDGSA-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.86
Rot. Bonds7

About 2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid

2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 3611794) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID3611794
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid
SMILESCCCCc1ccc(Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C15H18N2O2S/c1-2-3-4-11-5-7-12(8-6-11)16-15-17-13(10-20-15)9-14(18)19/h5-8,10H,2-4,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyVDMVUEDUXDDGSA-UHFFFAOYSA-N
XLogP3.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid (CID 3611794) is 2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid is CCCCc1ccc(Nc2nc(CC(=O)O)cs2)cc1.
What is the InChIKey of 2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is VDMVUEDUXDDGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-3-4-11-5-7-12(8-6-11)16-15-17-13(10-20-15)9-14(18)19/h5-8,10H,2-4,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 290.39 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 3611794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).