4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine

C19H23N3O2S — CID 3556747

IUPAC4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOCCn1c(C)cc(-c2csc(Nc3ccc(OC)cc3)n2)c1C
InChIInChI=1S/C19H23N3O2S/c1-13-11-17(14(2)22(13)9-10-23-3)18-12-25-19(21-18)20-15-5-7-16(24-4)8-6-15/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)
InChIKeyGZGDEGRHQZMLFI-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.63
Rot. Bonds7

About 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine

4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 3556747) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID3556747
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOCCn1c(C)cc(-c2csc(Nc3ccc(OC)cc3)n2)c1C
InChIInChI=1S/C19H23N3O2S/c1-13-11-17(14(2)22(13)9-10-23-3)18-12-25-19(21-18)20-15-5-7-16(24-4)8-6-15/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)
InChIKeyGZGDEGRHQZMLFI-UHFFFAOYSA-N
XLogP4.63
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 8962536
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine
CID 8962711
4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8961977
2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9173988
4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
CID 4789569
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
methyl 3-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 8962499
4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide
CID 2457145
N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2117243
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524772
3-amino-5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-6-methyl-1H-pyridin-2-one
CID 88699621

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 3556747) is 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine is COCCn1c(C)cc(-c2csc(Nc3ccc(OC)cc3)n2)c1C.
What is the InChIKey of 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is GZGDEGRHQZMLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-11-17(14(2)22(13)9-10-23-3)18-12-25-19(21-18)20-15-5-7-16(24-4)8-6-15/h5-8,11-12H,9-10H2,1-4H3,(H,20,21).
What are the key properties of 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 357.48 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3556747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).