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

C23H22N4OS2 — CID 127027828

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)nc(SCC(=O)N(C)c2ncc(Cc3cccc4ccccc34)s2)n1
InChIInChI=1S/C23H22N4OS2/c1-15-11-16(2)26-22(25-15)29-14-21(28)27(3)23-24-13-19(30-23)12-18-9-6-8-17-7-4-5-10-20(17)18/h4-11,13H,12,14H2,1-3H3
InChIKeyUTNMXXGVOMJKNC-UHFFFAOYSA-N
MW434.59 g/mol
LogP5.05
Rot. Bonds6

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 127027828) 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-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID127027828
Molecular FormulaC23H22N4OS2
Molecular Weight434.59 g/mol
Exact Mass434.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)nc(SCC(=O)N(C)c2ncc(Cc3cccc4ccccc34)s2)n1
InChIInChI=1S/C23H22N4OS2/c1-15-11-16(2)26-22(25-15)29-14-21(28)27(3)23-24-13-19(30-23)12-18-9-6-8-17-7-4-5-10-20(17)18/h4-11,13H,12,14H2,1-3H3
InChIKeyUTNMXXGVOMJKNC-UHFFFAOYSA-N
XLogP5.05
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.05
H-Bond Donors ≤ 50
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-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 127027828) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is Cc1cc(C)nc(SCC(=O)N(C)c2ncc(Cc3cccc4ccccc34)s2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UTNMXXGVOMJKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS2/c1-15-11-16(2)26-22(25-15)29-14-21(28)27(3)23-24-13-19(30-23)12-18-9-6-8-17-7-4-5-10-20(17)18/h4-11,13H,12,14H2,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 434.59 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 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-methyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 127027828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).