[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate

C18H16N4O3S — CID 8634240

IUPAC[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)c2cnc(C)cn2)cs1
InChIInChI=1S/C18H16N4O3S/c1-12-8-20-16(9-19-12)17(24)25-10-14-11-26-18(21-14)22(13(2)23)15-6-4-3-5-7-15/h3-9,11H,10H2,1-2H3
InChIKeyVUHYNVJQBNWIHO-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.28
Rot. Bonds5

About [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate (PubChem CID 8634240) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate
PubChem CID8634240
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)c2cnc(C)cn2)cs1
InChIInChI=1S/C18H16N4O3S/c1-12-8-20-16(9-19-12)17(24)25-10-14-11-26-18(21-14)22(13(2)23)15-6-4-3-5-7-15/h3-9,11H,10H2,1-2H3
InChIKeyVUHYNVJQBNWIHO-UHFFFAOYSA-N
XLogP3.28
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-[benzyl-[2-(pyrazine-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2367886
[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 1-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]triazole-4-carboxylate
CID 155569474
Methyl 2-[[2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
CID 172453333
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 16276768
Ethyl 2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 396825
(2-Phenyl-1,3-thiazol-4-yl)methyl 3-aminopyrazine-2-carboxylate
CID 16594680
Ethyl 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 71988660
Ethyl 2-[1-[[1-(4-fluorophenyl)imidazol-2-yl]methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-1,3-thiazole-4-carboxylate
CID 69191955
Ethyl 3-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)imidazole-4-carboxylate
CID 71137014
[(2R)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 2706608

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate (CID 8634240) is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate is CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cnc(C)cn2)cs1.
What is the InChIKey of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate?
The InChIKey is VUHYNVJQBNWIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-12-8-20-16(9-19-12)17(24)25-10-14-11-26-18(21-14)22(13(2)23)15-6-4-3-5-7-15/h3-9,11H,10H2,1-2H3.
What are the key properties of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate?
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate has a molecular weight of 368.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 8634240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).