4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole

C8H6ClN3OS — CID 104516513

IUPAC4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole
SMILESCOc1nccnc1-c1nc(Cl)cs1
InChIInChI=1S/C8H6ClN3OS/c1-13-7-6(10-2-3-11-7)8-12-5(9)4-14-8/h2-4H,1H3
InChIKeyWQVFMZYUWAMAGQ-UHFFFAOYSA-N
MW227.68 g/mol
LogP2.26
Rot. Bonds2

About 4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole

4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole (PubChem CID 104516513) has the molecular formula C8H6ClN3OS and a molecular weight of 227.68 g/mol. Its IUPAC name is 4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole
PubChem CID104516513
Molecular FormulaC8H6ClN3OS
Molecular Weight227.68 g/mol
Exact Mass226.99
IUPAC Name4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole
SMILESCOc1nccnc1-c1nc(Cl)cs1
InChIInChI=1S/C8H6ClN3OS/c1-13-7-6(10-2-3-11-7)8-12-5(9)4-14-8/h2-4H,1H3
InChIKeyWQVFMZYUWAMAGQ-UHFFFAOYSA-N
XLogP2.26
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116892294
2-(6-chloropyrimidin-4-yl)-3-methoxypyrazine
CID 104516547
4-chloro-2-(2-methoxyphenyl)-1,3-thiazole
CID 83158767
2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine
CID 104516518
4-chloro-6-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)pyrimidine
CID 106769030
2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine
CID 105371526
4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 116892268
6-(3-methoxypyrazin-2-yl)-N,4,5-trimethylpyridazin-3-amine
CID 104516646
2-(3-methoxypyrazin-2-yl)aniline
CID 104516148
6-(3-methoxypyrazin-2-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 104516628
2-(3-chloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511905
4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 83158896

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole (CID 104516513) is 4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole is COc1nccnc1-c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole?
The InChIKey is WQVFMZYUWAMAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3OS/c1-13-7-6(10-2-3-11-7)8-12-5(9)4-14-8/h2-4H,1H3.
What are the key properties of 4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole?
4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole has a molecular weight of 227.68 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole is sourced from PubChem (CID 104516513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).