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

C22H20N4OS2 — CID 127027826

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccc4ccccc4c3)s2)n1
InChIInChI=1S/C22H20N4OS2/c1-14-9-15(2)25-22(24-14)28-13-20(27)26-21-23-12-19(29-21)11-16-7-8-17-5-3-4-6-18(17)10-16/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)
InChIKeySCGVCPDSOKXNGR-UHFFFAOYSA-N
MW420.56 g/mol
LogP5.02
Rot. Bonds6

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 127027826) has the molecular formula C22H20N4OS2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID127027826
Molecular FormulaC22H20N4OS2
Molecular Weight420.56 g/mol
Exact Mass420.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccc4ccccc4c3)s2)n1
InChIInChI=1S/C22H20N4OS2/c1-14-9-15(2)25-22(24-14)28-13-20(27)26-21-23-12-19(29-21)11-16-7-8-17-5-3-4-6-18(17)10-16/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)
InChIKeySCGVCPDSOKXNGR-UHFFFAOYSA-N
XLogP5.02
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.02
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-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 127027826) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide is Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccc4ccccc4c3)s2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is SCGVCPDSOKXNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS2/c1-14-9-15(2)25-22(24-14)28-13-20(27)26-21-23-12-19(29-21)11-16-7-8-17-5-3-4-6-18(17)10-16/h3-10,12H,11,13H2,1-2H3,(H,23,26,27).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 5.02, 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-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 127027826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).