2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C16H16N4O2S2 — CID 1035312

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nc(C)cc(C)n3)sc2c1
InChIInChI=1S/C16H16N4O2S2/c1-9-6-10(2)18-15(17-9)23-8-14(21)20-16-19-12-5-4-11(22-3)7-13(12)24-16/h4-7H,8H2,1-3H3,(H,19,20,21)
InChIKeyACNFJXXLBZYEOU-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.44
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 1035312) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID1035312
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nc(C)cc(C)n3)sc2c1
InChIInChI=1S/C16H16N4O2S2/c1-9-6-10(2)18-15(17-9)23-8-14(21)20-16-19-12-5-4-11(22-3)7-13(12)24-16/h4-7H,8H2,1-3H3,(H,19,20,21)
InChIKeyACNFJXXLBZYEOU-UHFFFAOYSA-N
XLogP3.44
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 1035312) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)CSc3nc(C)cc(C)n3)sc2c1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ACNFJXXLBZYEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-9-6-10(2)18-15(17-9)23-8-14(21)20-16-19-12-5-4-11(22-3)7-13(12)24-16/h4-7H,8H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 1035312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).