4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole

C19H20N2OS — CID 8965050

IUPAC4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole
SMILESC=CCn1c(C)cc(-c2csc(-c3ccccc3OC)n2)c1C
InChIInChI=1S/C19H20N2OS/c1-5-10-21-13(2)11-16(14(21)3)17-12-23-19(20-17)15-8-6-7-9-18(15)22-4/h5-9,11-12H,1,10H2,2-4H3
InChIKeyOSZCBZNNZKKAKZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP5.09
Rot. Bonds5

About 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole

4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole (PubChem CID 8965050) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole
PubChem CID8965050
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole
SMILESC=CCn1c(C)cc(-c2csc(-c3ccccc3OC)n2)c1C
InChIInChI=1S/C19H20N2OS/c1-5-10-21-13(2)11-16(14(21)3)17-12-23-19(20-17)15-8-6-7-9-18(15)22-4/h5-9,11-12H,1,10H2,2-4H3
InChIKeyOSZCBZNNZKKAKZ-UHFFFAOYSA-N
XLogP5.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 40898224
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126797870
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878336
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 7529140
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 17444447
2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 79831089
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 25475169
methyl 3-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 8962499
4-(2-methoxyphenyl)-2-(3-methylthiophen-2-yl)-1,3-thiazole
CID 35618487
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 24627452
N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2117243

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole (CID 8965050) is 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole is C=CCn1c(C)cc(-c2csc(-c3ccccc3OC)n2)c1C.
What is the InChIKey of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole?
The InChIKey is OSZCBZNNZKKAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-5-10-21-13(2)11-16(14(21)3)17-12-23-19(20-17)15-8-6-7-9-18(15)22-4/h5-9,11-12H,1,10H2,2-4H3.
What are the key properties of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole?
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole has a molecular weight of 324.45 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 8965050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).