2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide

C17H18N4O3S — CID 43989243

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(C)c2sc(NC(=O)Cn3cnc(C)c(C)c3=O)nc12
InChIInChI=1S/C17H18N4O3S/c1-9-5-6-12(24-4)14-15(9)25-17(20-14)19-13(22)7-21-8-18-11(3)10(2)16(21)23/h5-6,8H,7H2,1-4H3,(H,19,20,22)
InChIKeyDPPFDVFNEMGTAS-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.43
Rot. Bonds4

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 43989243) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID43989243
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(C)c2sc(NC(=O)Cn3cnc(C)c(C)c3=O)nc12
InChIInChI=1S/C17H18N4O3S/c1-9-5-6-12(24-4)14-15(9)25-17(20-14)19-13(22)7-21-8-18-11(3)10(2)16(21)23/h5-6,8H,7H2,1-4H3,(H,19,20,22)
InChIKeyDPPFDVFNEMGTAS-UHFFFAOYSA-N
XLogP2.43
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide with MolForge

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43952352
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987463
2-(4-ethylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16824377
2-(4-ethoxyphenoxy)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43988981
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43952281
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 18586958
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53014407
2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7193103
3,4,5-triethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 40885029
2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18587083
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325364
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 56592932

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide (CID 43989243) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide is COc1ccc(C)c2sc(NC(=O)Cn3cnc(C)c(C)c3=O)nc12.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is DPPFDVFNEMGTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-9-5-6-12(24-4)14-15(9)25-17(20-14)19-13(22)7-21-8-18-11(3)10(2)16(21)23/h5-6,8H,7H2,1-4H3,(H,19,20,22).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 43989243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).