methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

C18H14N4O4S3 — CID 38986049

IUPACmethyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)n1
InChIInChI=1S/C18H14N4O4S3/c1-26-14(24)5-10-7-29-18(20-10)21-13(23)6-22-9-19-16-15(17(22)25)11(8-28-16)12-3-2-4-27-12/h2-4,7-9H,5-6H2,1H3,(H,20,21,23)
InChIKeyRZTJZLWEKLCQPD-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.00
Rot. Bonds6

About methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 38986049) has the molecular formula C18H14N4O4S3 and a molecular weight of 446.54 g/mol. Its IUPAC name is methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID38986049
Molecular FormulaC18H14N4O4S3
Molecular Weight446.54 g/mol
Exact Mass446.02
IUPAC Namemethyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)n1
InChIInChI=1S/C18H14N4O4S3/c1-26-14(24)5-10-7-29-18(20-10)21-13(23)6-22-9-19-16-15(17(22)25)11(8-28-16)12-3-2-4-27-12/h2-4,7-9H,5-6H2,1H3,(H,20,21,23)
InChIKeyRZTJZLWEKLCQPD-UHFFFAOYSA-N
XLogP3.00
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
CID 52719526
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pentan-3-ylacetamide
CID 24680950
N-(2-chlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 30266765
3-methyl-2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]pentanamide
CID 78795359
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55371710
N-(2-ethylsulfonylphenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55613603
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide
CID 53497696
N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55450729
2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide
CID 18162794
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 17455120
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide;hydrochloride
CID 119605497
N-(3-aminopropyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 119404828

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 38986049) is methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)n1.
What is the InChIKey of methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is RZTJZLWEKLCQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S3/c1-26-14(24)5-10-7-29-18(20-10)21-13(23)6-22-9-19-16-15(17(22)25)11(8-28-16)12-3-2-4-27-12/h2-4,7-9H,5-6H2,1H3,(H,20,21,23).
What are the key properties of methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 446.54 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 38986049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).