(2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate

C16H13N3O2S — CID 2395270

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C16H13N3O2S/c1-11-7-18-14(8-17-11)16(20)21-9-13-10-22-15(19-13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyBFBNLFSQFZAZAI-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.27
Rot. Bonds4

About (2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate

(2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate (PubChem CID 2395270) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate
PubChem CID2395270
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C16H13N3O2S/c1-11-7-18-14(8-17-11)16(20)21-9-13-10-22-15(19-13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyBFBNLFSQFZAZAI-UHFFFAOYSA-N
XLogP3.27
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(5-fluoropyridin-2-yl)-5-morpholinothiazole-4-carboxylate
CID 126482357
US11390631, Example 390
CID 126482442
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate
CID 2649064
1,3-Benzothiazol-2-ylmethyl pyrazine-2-carboxylate
CID 2364899
Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-4-carboxylate
CID 2746007
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-aminopyrazine-2-carboxylate
CID 7802225
Ethyl 3-phenylimidazo[2,1-b]thiazole-5-carboxylate
CID 118716425
Ethyl 2-[6-(Trifluoromethyl)-3-pyridyl]thiazole-4-carboxylate
CID 122476126
Ethyl 2-pyridin-2-yl-1,3-thiazole-4-carboxylate
CID 10082761
4-Pyridin-3-YL-thiazole-2-carboxylic acid ethyl ester
CID 14357969
Ethyl 2-(pyridin-4-YL)thiazole-4-carboxylate
CID 595483
Methyl 2-(6-(trifluoromethyl)pyridin-3-yl)thiazole-4-carboxylate
CID 166448386

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate (CID 2395270) is (2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCc2csc(-c3ccccc3)n2)cn1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate?
The InChIKey is BFBNLFSQFZAZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-11-7-18-14(8-17-11)16(20)21-9-13-10-22-15(19-13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate?
(2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate has a molecular weight of 311.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2395270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).