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

C18H18N4OS2 — CID 34071150

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)NCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C18H18N4OS2/c1-12-8-13(2)21-18(20-12)25-11-16(23)19-9-15-10-24-17(22-15)14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H,19,23)
InChIKeyRLSWFHQBFLAUPL-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.63
Rot. Bonds6

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 34071150) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID34071150
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)NCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C18H18N4OS2/c1-12-8-13(2)21-18(20-12)25-11-16(23)19-9-15-10-24-17(22-15)14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H,19,23)
InChIKeyRLSWFHQBFLAUPL-UHFFFAOYSA-N
XLogP3.63
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide (CID 34071150) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide is Cc1cc(C)nc(SCC(=O)NCc2csc(-c3ccccc3)n2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is RLSWFHQBFLAUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c1-12-8-13(2)21-18(20-12)25-11-16(23)19-9-15-10-24-17(22-15)14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H,19,23).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 370.50 g/mol, XLogP of 3.63, 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-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 34071150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).