4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole

C15H13N3O2S — CID 60529099

IUPAC4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3cnccn3)n2)c(OC)c1
InChIInChI=1S/C15H13N3O2S/c1-19-10-3-4-11(14(7-10)20-2)13-9-21-15(18-13)12-8-16-5-6-17-12/h3-9H,1-2H3
InChIKeyKTOGLJPXKHPQHR-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.28
Rot. Bonds4

About 4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole

4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole (PubChem CID 60529099) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole
PubChem CID60529099
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3cnccn3)n2)c(OC)c1
InChIInChI=1S/C15H13N3O2S/c1-19-10-3-4-11(14(7-10)20-2)13-9-21-15(18-13)12-8-16-5-6-17-12/h3-9H,1-2H3
InChIKeyKTOGLJPXKHPQHR-UHFFFAOYSA-N
XLogP3.28
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 23408094
[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]azanide
CID 161351760
2-(2-methoxy-4-propan-2-yloxyphenyl)pyrazine
CID 22249015
4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 25342683
2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-ol
CID 116889764
1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120580478
4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole
CID 60528720
2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyrazine
CID 14116978
3,5-bis(2,4-dimethoxyphenyl)-1,2-oxazole
CID 19586357
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3914278
2-(4-methoxyphenyl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91135598
4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine
CID 7529068

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole (CID 60529099) is 4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole is COc1ccc(-c2csc(-c3cnccn3)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole?
The InChIKey is KTOGLJPXKHPQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-19-10-3-4-11(14(7-10)20-2)13-9-21-15(18-13)12-8-16-5-6-17-12/h3-9H,1-2H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole?
4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole has a molecular weight of 299.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole is sourced from PubChem (CID 60529099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).