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

C19H20N4OS2 — CID 1096282

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(Cc2cnc(NC(=O)CSc3nc(C)cc(C)n3)s2)cc1
InChIInChI=1S/C19H20N4OS2/c1-12-4-6-15(7-5-12)9-16-10-20-18(26-16)23-17(24)11-25-19-21-13(2)8-14(3)22-19/h4-8,10H,9,11H2,1-3H3,(H,20,23,24)
InChIKeyHHERPCPAUOAQJG-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.18
Rot. Bonds6

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 1096282) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID1096282
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(Cc2cnc(NC(=O)CSc3nc(C)cc(C)n3)s2)cc1
InChIInChI=1S/C19H20N4OS2/c1-12-4-6-15(7-5-12)9-16-10-20-18(26-16)23-17(24)11-25-19-21-13(2)8-14(3)22-19/h4-8,10H,9,11H2,1-3H3,(H,20,23,24)
InChIKeyHHERPCPAUOAQJG-UHFFFAOYSA-N
XLogP4.18
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.18
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-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 1096282) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1ccc(Cc2cnc(NC(=O)CSc3nc(C)cc(C)n3)s2)cc1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HHERPCPAUOAQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-12-4-6-15(7-5-12)9-16-10-20-18(26-16)23-17(24)11-25-19-21-13(2)8-14(3)22-19/h4-8,10H,9,11H2,1-3H3,(H,20,23,24).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 384.53 g/mol, XLogP of 4.18, 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-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1096282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).