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

C19H20N4O2S2 — CID 127026614

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(Cc2cnc(NC(=O)CSc3nc(C)cc(C)n3)s2)cc1
InChIInChI=1S/C19H20N4O2S2/c1-12-8-13(2)22-19(21-12)26-11-17(24)23-18-20-10-16(27-18)9-14-4-6-15(25-3)7-5-14/h4-8,10H,9,11H2,1-3H3,(H,20,23,24)
InChIKeyDZMQVVWUCPHQGS-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.88
Rot. Bonds7

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 127026614) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID127026614
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(Cc2cnc(NC(=O)CSc3nc(C)cc(C)n3)s2)cc1
InChIInChI=1S/C19H20N4O2S2/c1-12-8-13(2)22-19(21-12)26-11-17(24)23-18-20-10-16(27-18)9-14-4-6-15(25-3)7-5-14/h4-8,10H,9,11H2,1-3H3,(H,20,23,24)
InChIKeyDZMQVVWUCPHQGS-UHFFFAOYSA-N
XLogP3.88
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 786894
2-(3-Methoxyphenyl)-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 4803142
N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832012
1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea
CID 56603818
N-(5-{3-[(1-Benzyl-1h-1,2,3-Triazol-4-Yl)methoxy]benzyl}-1,3-Thiazol-2-Yl)-2-[(4,6-Dimethylpyrimidin-2-Yl)sulfanyl]acetamide
CID 112499922
Sirt2-IN-2
CID 135397680
2-(4-methoxyphenyl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 44454941
[4-(4-Methoxy-3-methyl-phenyl)-thiazol-2-yl]-pyrimidin-2-yl-amine
CID 695894
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 7502637
2-(2-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 8123738
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(3-methyl-pyridin-2-yl)-amine
CID 972796
2-{[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio}-N-1,3-thiazol-2-ylacetamide
CID 1258567

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 127026614) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide is COc1ccc(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-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DZMQVVWUCPHQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-12-8-13(2)22-19(21-12)26-11-17(24)23-18-20-10-16(27-18)9-14-4-6-15(25-3)7-5-14/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-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 400.53 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 127026614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).