2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

C22H28N4O2S2 — CID 55640445

IUPAC2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOCCn1c(SCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)nc(C)c1C
InChIInChI=1S/C22H28N4O2S2/c1-13-9-15(3)18(10-14(13)2)19-11-29-21(24-19)25-20(27)12-30-22-23-16(4)17(5)26(22)7-8-28-6/h9-11H,7-8,12H2,1-6H3,(H,24,25,27)
InChIKeyATUFICJHQPLRLC-UHFFFAOYSA-N
MW444.63 g/mol
LogP4.93
Rot. Bonds8

About 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 55640445) has the molecular formula C22H28N4O2S2 and a molecular weight of 444.63 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID55640445
Molecular FormulaC22H28N4O2S2
Molecular Weight444.63 g/mol
Exact Mass444.17
IUPAC Name2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOCCn1c(SCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)nc(C)c1C
InChIInChI=1S/C22H28N4O2S2/c1-13-9-15(3)18(10-14(13)2)19-11-29-21(24-19)25-20(27)12-30-22-23-16(4)17(5)26(22)7-8-28-6/h9-11H,7-8,12H2,1-6H3,(H,24,25,27)
InChIKeyATUFICJHQPLRLC-UHFFFAOYSA-N
XLogP4.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.63
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8871898
2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55460057
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55497388
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 42936011
N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
CID 51329556
2-(4-methoxyphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924821
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 55640131
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 55517155
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 42936005
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 9142256
2-(4-bromophenyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4673905
(3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 7924768

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 55640445) is 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is COCCn1c(SCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)nc(C)c1C.
What is the InChIKey of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ATUFICJHQPLRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S2/c1-13-9-15(3)18(10-14(13)2)19-11-29-21(24-19)25-20(27)12-30-22-23-16(4)17(5)26(22)7-8-28-6/h9-11H,7-8,12H2,1-6H3,(H,24,25,27).
What are the key properties of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 444.63 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55640445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).