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

C18H14ClN3O3S — CID 154774915

IUPACmethyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)c1cnc(C)cn1
InChIInChI=1S/C18H14ClN3O3S/c1-10-8-21-14(9-20-10)17(23)22-13-7-15(26-16(13)18(24)25-2)11-5-3-4-6-12(11)19/h3-9H,1-2H3,(H,22,23)
InChIKeyBKIGXEFSBFZKJW-UHFFFAOYSA-N
MW387.85 g/mol
LogP4.21
Rot. Bonds4

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

methyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 154774915) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is methyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate
PubChem CID154774915
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC Namemethyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)c1cnc(C)cn1
InChIInChI=1S/C18H14ClN3O3S/c1-10-8-21-14(9-20-10)17(23)22-13-7-15(26-16(13)18(24)25-2)11-5-3-4-6-12(11)19/h3-9H,1-2H3,(H,22,23)
InChIKeyBKIGXEFSBFZKJW-UHFFFAOYSA-N
XLogP4.21
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 113257804
methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate
CID 86660450
N-(2-carbamoylphenyl)-5-methylpyrazine-2-carboxamide
CID 27687729
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate
CID 107371771
5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 47028163
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52560390
5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide
CID 47829593
5-methyl-N-(2-propoxyphenyl)pyrazine-2-carboxamide
CID 17446893
N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 42905859
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methylpyrazine-2-carboxamide
CID 18121973
5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide
CID 113381822

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate (CID 154774915) is methyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)c1cnc(C)cn1.
What is the InChIKey of methyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is BKIGXEFSBFZKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c1-10-8-21-14(9-20-10)17(23)22-13-7-15(26-16(13)18(24)25-2)11-5-3-4-6-12(11)19/h3-9H,1-2H3,(H,22,23).
What are the key properties of methyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate?
methyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 387.85 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-chlorophenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 154774915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).