[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate

C16H11FN4O3S — CID 7985533

IUPAC[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C16H11FN4O3S/c17-11-3-1-10(2-4-11)13-9-25-16(20-13)21-14(22)8-24-15(23)12-7-18-5-6-19-12/h1-7,9H,8H2,(H,20,21,22)
InChIKeyCFMUKUYGOPUUQS-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.53
Rot. Bonds5

About [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 7985533) has the molecular formula C16H11FN4O3S and a molecular weight of 358.35 g/mol. Its IUPAC name is [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID7985533
Molecular FormulaC16H11FN4O3S
Molecular Weight358.35 g/mol
Exact Mass358.05
IUPAC Name[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C16H11FN4O3S/c17-11-3-1-10(2-4-11)13-9-25-16(20-13)21-14(22)8-24-15(23)12-7-18-5-6-19-12/h1-7,9H,8H2,(H,20,21,22)
InChIKeyCFMUKUYGOPUUQS-UHFFFAOYSA-N
XLogP2.53
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 4880900
Ethyl 2-[benzyl-[2-(pyrazine-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2367886
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 2455255
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 752982
5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 2339095
Pyridine-2-carboxylic acid (4-phenyl-thiazol-2-ylcarbamoyl)-methyl ester
CID 3155677
[1-[[4-(3-Nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate
CID 16278981
Ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 42903094
Ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 70789548
6-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 145979670
5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 145993137
N-(4-phenyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 862118

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate (CID 7985533) is [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is CFMUKUYGOPUUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O3S/c17-11-3-1-10(2-4-11)13-9-25-16(20-13)21-14(22)8-24-15(23)12-7-18-5-6-19-12/h1-7,9H,8H2,(H,20,21,22).
What are the key properties of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 358.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 7985533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).