ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate

C16H14N4O4S — CID 51146279

IUPACethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C16H14N4O4S/c1-2-24-15(23)12-8-25-16(18-12)19-13(21)7-20-9-17-11-6-4-3-5-10(11)14(20)22/h3-6,8-9H,2,7H2,1H3,(H,18,19,21)
InChIKeyNHZNUVUSVKKOLG-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.67
Rot. Bonds5

About ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 51146279) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID51146279
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Nameethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C16H14N4O4S/c1-2-24-15(23)12-8-25-16(18-12)19-13(21)7-20-9-17-11-6-4-3-5-10(11)14(20)22/h3-6,8-9H,2,7H2,1H3,(H,18,19,21)
InChIKeyNHZNUVUSVKKOLG-UHFFFAOYSA-N
XLogP1.67
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 17450612
ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51261916
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 8801516
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 32862972
2-(4-oxoquinazolin-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2567187
ethyl 4-cyclopropyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 27687072
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122356084
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2701434
N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122302050
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 134711049
ethyl 6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4809011

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate (CID 51146279) is ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)Cn2cnc3ccccc3c2=O)n1.
What is the InChIKey of ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is NHZNUVUSVKKOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-2-24-15(23)12-8-25-16(18-12)19-13(21)7-20-9-17-11-6-4-3-5-10(11)14(20)22/h3-6,8-9H,2,7H2,1H3,(H,18,19,21).
What are the key properties of ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 358.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 51146279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).