4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole

C21H17NOS — CID 168527485

IUPAC4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3cccc(-c4ccco4)c3)n2)c(C)c1
InChIInChI=1S/C21H17NOS/c1-14-8-9-18(15(2)11-14)19-13-24-21(22-19)17-6-3-5-16(12-17)20-7-4-10-23-20/h3-13H,1-2H3
InChIKeyYDFKGKOCWAVALH-UHFFFAOYSA-N
MW331.44 g/mol
LogP6.35
Rot. Bonds3

About 4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole

4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole (PubChem CID 168527485) has the molecular formula C21H17NOS and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole
PubChem CID168527485
Molecular FormulaC21H17NOS
Molecular Weight331.44 g/mol
Exact Mass331.10
IUPAC Name4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3cccc(-c4ccco4)c3)n2)c(C)c1
InChIInChI=1S/C21H17NOS/c1-14-8-9-18(15(2)11-14)19-13-24-21(22-19)17-6-3-5-16(12-17)20-7-4-10-23-20/h3-13H,1-2H3
InChIKeyYDFKGKOCWAVALH-UHFFFAOYSA-N
XLogP6.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carbaldehyde
CID 169334846
4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 17473672
1-chloro-3-[3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]anilino]propan-2-ol
CID 168639561
5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid
CID 89470635
3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol
CID 28942300
[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983740
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole
CID 126793475
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline
CID 55103450
2-(furan-2-yl)-4-(1-methylpyrrol-2-yl)-1,3-thiazole
CID 32501072
5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 168526202
2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
CID 3480329

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole?
The IUPAC name of 4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole (CID 168527485) is 4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole is Cc1ccc(-c2csc(-c3cccc(-c4ccco4)c3)n2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole?
The InChIKey is YDFKGKOCWAVALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NOS/c1-14-8-9-18(15(2)11-14)19-13-24-21(22-19)17-6-3-5-16(12-17)20-7-4-10-23-20/h3-13H,1-2H3.
What are the key properties of 4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole?
4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole has a molecular weight of 331.44 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 168527485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).