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

C15H12N4O2S — CID 16594680

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H12N4O2S/c16-13-12(17-6-7-18-13)15(20)21-8-11-9-22-14(19-11)10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,18)
InChIKeyWWSGLBQEEXBFTJ-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.54
Rot. Bonds4

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

(2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate (PubChem CID 16594680) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate
PubChem CID16594680
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H12N4O2S/c16-13-12(17-6-7-18-13)15(20)21-8-11-9-22-14(19-11)10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,18)
InChIKeyWWSGLBQEEXBFTJ-UHFFFAOYSA-N
XLogP2.54
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(2E)-2-[1-(4-pyridyl)ethylidene]hydrazino]thiazole-4-carboxylate
CID 43835789
ethyl 2-[(2E)-2-[1-(3-pyridyl)ethylidene]hydrazino]thiazole-4-carboxylate
CID 44221695
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate
CID 2649064
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-aminopyrazine-2-carboxylate
CID 7802225
ethyl 2-[(2E)-2-(3-pyridylmethylene)hydrazino]thiazole-4-carboxylate
CID 44221694
ethyl 2-[(2E)-2-(4-pyridylmethylene)hydrazino]thiazole-4-carboxylate
CID 44221696
Ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 118716422
Ethyl 3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 118716423
Ethyl 3-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 118716424
Ethyl 3-phenylimidazo[2,1-b]thiazole-5-carboxylate
CID 118716425
Methyl 2-[[2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
CID 172453333
(2-Phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate
CID 2395270

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate (CID 16594680) is (2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate is Nc1nccnc1C(=O)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate?
The InChIKey is WWSGLBQEEXBFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c16-13-12(17-6-7-18-13)15(20)21-8-11-9-22-14(19-11)10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,18).
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate?
(2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate has a molecular weight of 312.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 16594680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).