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

C22H26N4O2S2 — CID 127026915

IUPAC2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCc1cc(CC)nc(SC(C)C(=O)Nc2ncc(Cc3ccc(OC)cc3)s2)n1
InChIInChI=1S/C22H26N4O2S2/c1-5-16-12-17(6-2)25-22(24-16)29-14(3)20(27)26-21-23-13-19(30-21)11-15-7-9-18(28-4)10-8-15/h7-10,12-14H,5-6,11H2,1-4H3,(H,23,26,27)
InChIKeyLUDQETRZZQQDPF-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.78
Rot. Bonds9

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

2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 127026915) has the molecular formula C22H26N4O2S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID127026915
Molecular FormulaC22H26N4O2S2
Molecular Weight442.61 g/mol
Exact Mass442.15
IUPAC Name2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCc1cc(CC)nc(SC(C)C(=O)Nc2ncc(Cc3ccc(OC)cc3)s2)n1
InChIInChI=1S/C22H26N4O2S2/c1-5-16-12-17(6-2)25-22(24-16)29-14(3)20(27)26-21-23-13-19(30-21)11-15-7-9-18(28-4)10-8-15/h7-10,12-14H,5-6,11H2,1-4H3,(H,23,26,27)
InChIKeyLUDQETRZZQQDPF-UHFFFAOYSA-N
XLogP4.78
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(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
2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 127026915) is 2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide is CCc1cc(CC)nc(SC(C)C(=O)Nc2ncc(Cc3ccc(OC)cc3)s2)n1.
What is the InChIKey of 2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is LUDQETRZZQQDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S2/c1-5-16-12-17(6-2)25-22(24-16)29-14(3)20(27)26-21-23-13-19(30-21)11-15-7-9-18(28-4)10-8-15/h7-10,12-14H,5-6,11H2,1-4H3,(H,23,26,27).
What are the key properties of 2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 442.61 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 127026915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).