2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

C19H18N4O3S2 — CID 8883244

IUPAC2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3cnc4sc(C)c(C)c4c3=O)sc2c1
InChIInChI=1S/C19H18N4O3S2/c1-4-26-12-5-6-13-14(7-12)28-19(21-13)22-15(24)8-23-9-20-17-16(18(23)25)10(2)11(3)27-17/h5-7,9H,4,8H2,1-3H3,(H,21,22,24)
InChIKeyQUHHCNGYIABKAU-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.72
Rot. Bonds5

About 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 8883244) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID8883244
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3cnc4sc(C)c(C)c4c3=O)sc2c1
InChIInChI=1S/C19H18N4O3S2/c1-4-26-12-5-6-13-14(7-12)28-19(21-13)22-15(24)8-23-9-20-17-16(18(23)25)10(2)11(3)27-17/h5-7,9H,4,8H2,1-3H3,(H,21,22,24)
InChIKeyQUHHCNGYIABKAU-UHFFFAOYSA-N
XLogP3.72
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 4083820
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanamide
CID 27895598
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 20968961
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 25470450
ethyl 2-[[2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 27400259
ethyl 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 1191759
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3994330
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43952281
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 26251715
N-(2,6-diethylphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1078246
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24529057

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (CID 8883244) is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is CCOc1ccc2nc(NC(=O)Cn3cnc4sc(C)c(C)c4c3=O)sc2c1.
What is the InChIKey of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is QUHHCNGYIABKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-4-26-12-5-6-13-14(7-12)28-19(21-13)22-15(24)8-23-9-20-17-16(18(23)25)10(2)11(3)27-17/h5-7,9H,4,8H2,1-3H3,(H,21,22,24).
What are the key properties of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 8883244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).