2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid

C20H16N2O3S — CID 102534467

IUPAC2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H16N2O3S/c23-18(24)12-16-13-26-20(21-16)22-19(25)17(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-11,13H,12H2,(H,23,24)(H,21,22,25)/b17-11+
InChIKeyAFFPZMPYWSQGQJ-GZTJUZNOSA-N
MW364.43 g/mol
LogP3.95
Rot. Bonds6

About 2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 102534467) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID102534467
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H16N2O3S/c23-18(24)12-16-13-26-20(21-16)22-19(25)17(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-11,13H,12H2,(H,23,24)(H,21,22,25)/b17-11+
InChIKeyAFFPZMPYWSQGQJ-GZTJUZNOSA-N
XLogP3.95
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide
CID 19195372
2-[2-[[(Z)-2-methylbut-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 115909600
(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 890524
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505
2-[2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43170592
2-[2-(2,2,2-trifluoroethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 113462949
2-[2-[(4-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 43089417
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62688977
(Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108770782
(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 6525557
(Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide
CID 108760126
2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide
CID 4121626

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid (CID 102534467) is 2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is AFFPZMPYWSQGQJ-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-18(24)12-16-13-26-20(21-16)22-19(25)17(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-11,13H,12H2,(H,23,24)(H,21,22,25)/b17-11+.
What are the key properties of 2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 364.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 102534467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).