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

C18H21N3OS — CID 4789569

IUPAC4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CCn2c(C)cc(-c3csc(N)n3)c2C)cc1
InChIInChI=1S/C18H21N3OS/c1-12-10-16(17-11-23-18(19)20-17)13(2)21(12)9-8-14-4-6-15(22-3)7-5-14/h4-7,10-11H,8-9H2,1-3H3,(H2,19,20)
InChIKeyUKYHOVRJYKRDAA-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.06
Rot. Bonds5

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

4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine (PubChem CID 4789569) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
PubChem CID4789569
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CCn2c(C)cc(-c3csc(N)n3)c2C)cc1
InChIInChI=1S/C18H21N3OS/c1-12-10-16(17-11-23-18(19)20-17)13(2)21(12)9-8-14-4-6-15(22-3)7-5-14/h4-7,10-11H,8-9H2,1-3H3,(H2,19,20)
InChIKeyUKYHOVRJYKRDAA-UHFFFAOYSA-N
XLogP4.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
CID 8878267
4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 8963955
4-(1-butyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine
CID 116791225
4-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 2557724
methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]butanoate
CID 8878284
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 3556747
4-[2,5-dimethyl-1-[(4-nitrophenyl)methyl]pyrrol-3-yl]-1,3-thiazol-2-amine
CID 23008588
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
methyl 3-[3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 8962536
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081993
4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine
CID 86692031

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine (CID 4789569) is 4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine is COc1ccc(CCn2c(C)cc(-c3csc(N)n3)c2C)cc1.
What is the InChIKey of 4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is UKYHOVRJYKRDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12-10-16(17-11-23-18(19)20-17)13(2)21(12)9-8-14-4-6-15(22-3)7-5-14/h4-7,10-11H,8-9H2,1-3H3,(H2,19,20).
What are the key properties of 4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine?
4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 327.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 4789569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).