2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid

C15H14N2O3S — CID 87597036

IUPAC2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid
SMILESCC(=O)Nc1nc(/C=C/c2ccc(CC(=O)O)cc2)cs1
InChIInChI=1S/C15H14N2O3S/c1-10(18)16-15-17-13(9-21-15)7-6-11-2-4-12(5-3-11)8-14(19)20/h2-7,9H,8H2,1H3,(H,19,20)(H,16,17,18)/b7-6+
InChIKeyVOUIKXJMPKEJLI-VOTSOKGWSA-N
MW302.36 g/mol
LogP2.90
Rot. Bonds5

About 2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid

2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid (PubChem CID 87597036) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid
PubChem CID87597036
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid
SMILESCC(=O)Nc1nc(/C=C/c2ccc(CC(=O)O)cc2)cs1
InChIInChI=1S/C15H14N2O3S/c1-10(18)16-15-17-13(9-21-15)7-6-11-2-4-12(5-3-11)8-14(19)20/h2-7,9H,8H2,1H3,(H,19,20)(H,16,17,18)/b7-6+
InChIKeyVOUIKXJMPKEJLI-VOTSOKGWSA-N
XLogP2.90
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (E)-3-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]prop-2-enoate
CID 87853409
3-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]thiophen-2-yl]-2-methylprop-2-enoic acid
CID 173025649
N-[4-[(E)-2-[4-(2-oxopropyl)phenyl]ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 164978226
2-[4-[(E)-2-[3,5-bis[(E)-2-[4-(carboxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]acetic acid;ethane
CID 145426208
4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]-3-fluorobenzoic acid
CID 87182657
2-(4-prop-1-enylphenyl)acetic acid
CID 70128310
2-[2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43354576
tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate
CID 164769747
2-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 45387882
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199975
2-[2-[[(Z)-2-methylbut-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 115909600
2-[5-[2-[2-(acetamidomethyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetic acid
CID 69228219

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid (CID 87597036) is 2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid is CC(=O)Nc1nc(/C=C/c2ccc(CC(=O)O)cc2)cs1.
What is the InChIKey of 2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid?
The InChIKey is VOUIKXJMPKEJLI-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-10(18)16-15-17-13(9-21-15)7-6-11-2-4-12(5-3-11)8-14(19)20/h2-7,9H,8H2,1H3,(H,19,20)(H,16,17,18)/b7-6+.
What are the key properties of 2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid?
2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid has a molecular weight of 302.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]phenyl]acetic acid is sourced from PubChem (CID 87597036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).