methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate

C11H8ClN3O3S — CID 107371771

IUPACmethyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H8ClN3O3S/c1-18-11(17)9-6(2-3-19-9)15-10(16)7-4-14-8(12)5-13-7/h2-5H,1H3,(H,15,16)
InChIKeyWWFKEASMSRLGAZ-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.23
Rot. Bonds3

About methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 107371771) has the molecular formula C11H8ClN3O3S and a molecular weight of 297.72 g/mol. Its IUPAC name is methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate
PubChem CID107371771
Molecular FormulaC11H8ClN3O3S
Molecular Weight297.72 g/mol
Exact Mass297.00
IUPAC Namemethyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H8ClN3O3S/c1-18-11(17)9-6(2-3-19-9)15-10(16)7-4-14-8(12)5-13-7/h2-5H,1H3,(H,15,16)
InChIKeyWWFKEASMSRLGAZ-UHFFFAOYSA-N
XLogP2.23
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate
CID 43608097
methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate
CID 1488645
methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate
CID 121167403
methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 86847514
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 43112154
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 28881765
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[(4-amino-2-chlorobenzoyl)amino]thiophene-2-carboxylate
CID 29008479
methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 6470591
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
5-chloro-N-(3-methoxy-2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 107246554

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate (CID 107371771) is methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is WWFKEASMSRLGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3S/c1-18-11(17)9-6(2-3-19-9)15-10(16)7-4-14-8(12)5-13-7/h2-5H,1H3,(H,15,16).
What are the key properties of methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 297.72 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 107371771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).