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

C15H14N4OS2 — CID 2396236

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)CSc2nc3ccccc3s2)n1
InChIInChI=1S/C15H14N4OS2/c1-9-7-10(2)17-14(16-9)19-13(20)8-21-15-18-11-5-3-4-6-12(11)22-15/h3-7H,8H2,1-2H3,(H,16,17,19,20)
InChIKeyAOYHJTKPERTRGO-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.43
Rot. Bonds4

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

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (PubChem CID 2396236) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
PubChem CID2396236
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)CSc2nc3ccccc3s2)n1
InChIInChI=1S/C15H14N4OS2/c1-9-7-10(2)17-14(16-9)19-13(20)8-21-15-18-11-5-3-4-6-12(11)22-15/h3-7H,8H2,1-2H3,(H,16,17,19,20)
InChIKeyAOYHJTKPERTRGO-UHFFFAOYSA-N
XLogP3.43
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
2-(Acetoacetamido)benzothiazole
CID 20820
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzothiazol-2-amine
CID 686075
Acetamide, N-2-benzothiazolyl-2,2,2-trifluoro-
CID 97229
Acetamide, N-2-benzothiazolyl-
CID 350459
N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide
CID 9551574
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 894110
1-[2-(1,3-Benzothiazol-2-ylamino)-4,6-dimethylpyrimidin-5-yl]ethanone
CID 939124
N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamide
CID 3997242
N-(1,3-benzothiazol-2-yl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetamide
CID 135460593

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (CID 2396236) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is Cc1cc(C)nc(NC(=O)CSc2nc3ccccc3s2)n1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The InChIKey is AOYHJTKPERTRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c1-9-7-10(2)17-14(16-9)19-13(20)8-21-15-18-11-5-3-4-6-12(11)22-15/h3-7H,8H2,1-2H3,(H,16,17,19,20).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide has a molecular weight of 330.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 2396236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).