2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C23H22N4OS2 — CID 127027151

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc(Cc3c(C)ccc4ccccc34)s2)n1
InChIInChI=1S/C23H22N4OS2/c1-14-8-9-17-6-4-5-7-19(17)20(14)11-18-12-24-22(30-18)27-21(28)13-29-23-25-15(2)10-16(3)26-23/h4-10,12H,11,13H2,1-3H3,(H,24,27,28)
InChIKeyOMQJHSYOEPWLJO-UHFFFAOYSA-N
MW434.59 g/mol
LogP5.33
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 127027151) has the molecular formula C23H22N4OS2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID127027151
Molecular FormulaC23H22N4OS2
Molecular Weight434.59 g/mol
Exact Mass434.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc(Cc3c(C)ccc4ccccc34)s2)n1
InChIInChI=1S/C23H22N4OS2/c1-14-8-9-17-6-4-5-7-19(17)20(14)11-18-12-24-22(30-18)27-21(28)13-29-23-25-15(2)10-16(3)26-23/h4-10,12H,11,13H2,1-3H3,(H,24,27,28)
InChIKeyOMQJHSYOEPWLJO-UHFFFAOYSA-N
XLogP5.33
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.33
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-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 127027151) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3c(C)ccc4ccccc34)s2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OMQJHSYOEPWLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS2/c1-14-8-9-17-6-4-5-7-19(17)20(14)11-18-12-24-22(30-18)27-21(28)13-29-23-25-15(2)10-16(3)26-23/h4-10,12H,11,13H2,1-3H3,(H,24,27,28).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 434.59 g/mol, XLogP of 5.33, 6 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-[5-[(2-methylnaphthalen-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 127027151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).