2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid

C14H14N2O3S2 — CID 69228219

IUPAC2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid
SMILESCC(=O)NCc1nc(C=Cc2ccc(CC(=O)O)s2)cs1
InChIInChI=1S/C14H14N2O3S2/c1-9(17)15-7-13-16-10(8-20-13)2-3-11-4-5-12(21-11)6-14(18)19/h2-5,8H,6-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyGZDSKHWOHJRWLA-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.64
Rot. Bonds6

About 2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid

2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid (PubChem CID 69228219) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid
PubChem CID69228219
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid
SMILESCC(=O)NCc1nc(C=Cc2ccc(CC(=O)O)s2)cs1
InChIInChI=1S/C14H14N2O3S2/c1-9(17)15-7-13-16-10(8-20-13)2-3-11-4-5-12(21-11)6-14(18)19/h2-5,8H,6-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyGZDSKHWOHJRWLA-UHFFFAOYSA-N
XLogP2.64
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid (CID 69228219) is 2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid is CC(=O)NCc1nc(C=Cc2ccc(CC(=O)O)s2)cs1.
What is the InChIKey of 2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid?
The InChIKey is GZDSKHWOHJRWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-9(17)15-7-13-16-10(8-20-13)2-3-11-4-5-12(21-11)6-14(18)19/h2-5,8H,6-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid?
2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid has a molecular weight of 322.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 69228219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).