4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole

C17H18N2S — CID 118871316

IUPAC4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole
SMILESCCn1ccc(C)c1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H18N2S/c1-3-19-10-9-13(2)16(19)11-15-12-20-17(18-15)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3
InChIKeyYQZFETUSRZBJIS-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.53
Rot. Bonds4

About 4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole

4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole (PubChem CID 118871316) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole
PubChem CID118871316
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole
SMILESCCn1ccc(C)c1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H18N2S/c1-3-19-10-9-13(2)16(19)11-15-12-20-17(18-15)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3
InChIKeyYQZFETUSRZBJIS-UHFFFAOYSA-N
XLogP4.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
N-[[4-(aminomethyl)phenyl]methyl]-1-ethyl-4-methyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
CID 90280330
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 139229606
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole
CID 56528659
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888515
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid
CID 142463610
(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277558

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole (CID 118871316) is 4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole is CCn1ccc(C)c1Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole?
The InChIKey is YQZFETUSRZBJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-3-19-10-9-13(2)16(19)11-15-12-20-17(18-15)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole?
4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole has a molecular weight of 282.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-3-methylpyrrol-2-yl)methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 118871316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).