4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole

C16H14N2S — CID 849787

IUPAC4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole
SMILESCc1ccc(C)c(-c2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C16H14N2S/c1-11-5-6-12(2)14(8-11)15-10-19-16(18-15)13-4-3-7-17-9-13/h3-10H,1-2H3
InChIKeyMIYVXAOHVGQLSK-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.49
Rot. Bonds2

About 4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole

4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 849787) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID849787
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole
SMILESCc1ccc(C)c(-c2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C16H14N2S/c1-11-5-6-12(2)14(8-11)15-10-19-16(18-15)13-4-3-7-17-9-13/h3-10H,1-2H3
InChIKeyMIYVXAOHVGQLSK-UHFFFAOYSA-N
XLogP4.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole (CID 849787) is 4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole is Cc1ccc(C)c(-c2csc(-c3cccnc3)n2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is MIYVXAOHVGQLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-11-5-6-12(2)14(8-11)15-10-19-16(18-15)13-4-3-7-17-9-13/h3-10H,1-2H3.
What are the key properties of 4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole?
4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 266.37 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 849787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).