2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate

C18H16N2O3S2 — CID 86856851

IUPAC2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)OCCc1cccs1
InChIInChI=1S/C18H16N2O3S2/c21-16(23-9-8-15-7-4-10-24-15)11-14-12-25-18(19-14)20-17(22)13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,19,20,22)
InChIKeyMBKSZCPIMRRJEA-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.79
Rot. Bonds7

About 2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate

2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate (PubChem CID 86856851) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate
PubChem CID86856851
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Name2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)OCCc1cccs1
InChIInChI=1S/C18H16N2O3S2/c21-16(23-9-8-15-7-4-10-24-15)11-14-12-25-18(19-14)20-17(22)13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,19,20,22)
InChIKeyMBKSZCPIMRRJEA-UHFFFAOYSA-N
XLogP3.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 39155108
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 18282128
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962610
N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide
CID 154216694
N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 39192369
N-[4-[2-(2-naphthalen-1-yloxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 60526142
ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 71704945
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate
CID 27736093
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate?
The IUPAC name of 2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate (CID 86856851) is 2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for 2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate?
The canonical SMILES for 2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(NC(=O)c2ccccc2)n1)OCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate?
The InChIKey is MBKSZCPIMRRJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c21-16(23-9-8-15-7-4-10-24-15)11-14-12-25-18(19-14)20-17(22)13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,19,20,22).
What are the key properties of 2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate?
2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate has a molecular weight of 372.47 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 86856851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).