4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole

C18H21N3S — CID 2370852

IUPAC4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccc(C)c(C)c3)cs2)n1
InChIInChI=1S/C18H21N3S/c1-12-5-6-16(9-13(12)2)17-11-22-18(19-17)7-8-21-15(4)10-14(3)20-21/h5-6,9-11H,7-8H2,1-4H3
InChIKeyYQXBEOQXFPVZKP-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.48
Rot. Bonds4

About 4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole

4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (PubChem CID 2370852) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
PubChem CID2370852
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccc(C)c(C)c3)cs2)n1
InChIInChI=1S/C18H21N3S/c1-12-5-6-16(9-13(12)2)17-11-22-18(19-17)7-8-21-15(4)10-14(3)20-21/h5-6,9-11H,7-8H2,1-4H3
InChIKeyYQXBEOQXFPVZKP-UHFFFAOYSA-N
XLogP4.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (CID 2370852) is 4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is Cc1cc(C)n(CCc2nc(-c3ccc(C)c(C)c3)cs2)n1.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The InChIKey is YQXBEOQXFPVZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-12-5-6-16(9-13(12)2)17-11-22-18(19-17)7-8-21-15(4)10-14(3)20-21/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole has a molecular weight of 311.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 2370852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).