2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C15H18N4OS2 — CID 5191719

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C15H18N4OS2/c1-9-7-10(2)17-14(16-9)21-8-13(20)19-15-18-11-5-3-4-6-12(11)22-15/h7H,3-6,8H2,1-2H3,(H,18,19,20)
InChIKeyPYQGITYGBSBSHX-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.16
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 5191719) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID5191719
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C15H18N4OS2/c1-9-7-10(2)17-14(16-9)21-8-13(20)19-15-18-11-5-3-4-6-12(11)22-15/h7H,3-6,8H2,1-2H3,(H,18,19,20)
InChIKeyPYQGITYGBSBSHX-UHFFFAOYSA-N
XLogP3.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 5191719) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2nc3c(s2)CCCC3)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is PYQGITYGBSBSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS2/c1-9-7-10(2)17-14(16-9)21-8-13(20)19-15-18-11-5-3-4-6-12(11)22-15/h7H,3-6,8H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 334.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 5191719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).