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

C17H19N5O2S2 — CID 54613545

IUPAC2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(Nn2c(SCC(=O)Nc3nccs3)nc(C)c2C)cc1
InChIInChI=1S/C17H19N5O2S2/c1-11-12(2)22(21-13-4-6-14(24-3)7-5-13)17(19-11)26-10-15(23)20-16-18-8-9-25-16/h4-9,21H,10H2,1-3H3,(H,18,20,23)
InChIKeyTZJINNOWHIUJEN-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.57
Rot. Bonds7

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

2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 54613545) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID54613545
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC Name2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(Nn2c(SCC(=O)Nc3nccs3)nc(C)c2C)cc1
InChIInChI=1S/C17H19N5O2S2/c1-11-12(2)22(21-13-4-6-14(24-3)7-5-13)17(19-11)26-10-15(23)20-16-18-8-9-25-16/h4-9,21H,10H2,1-3H3,(H,18,20,23)
InChIKeyTZJINNOWHIUJEN-UHFFFAOYSA-N
XLogP3.57
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 54613545) is 2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(Nn2c(SCC(=O)Nc3nccs3)nc(C)c2C)cc1.
What is the InChIKey of 2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is TZJINNOWHIUJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c1-11-12(2)22(21-13-4-6-14(24-3)7-5-13)17(19-11)26-10-15(23)20-16-18-8-9-25-16/h4-9,21H,10H2,1-3H3,(H,18,20,23).
What are the key properties of 2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 389.51 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 54613545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).