5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid

C12H12N4O3S — CID 120685818

IUPAC5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCCc1cnc(CNC(=O)c2cnc(C(=O)O)cn2)s1
InChIInChI=1S/C12H12N4O3S/c1-2-7-3-15-10(20-7)6-16-11(17)8-4-14-9(5-13-8)12(18)19/h3-5H,2,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyCHHKBRKWNHFCEL-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.12
Rot. Bonds5

About 5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid

5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685818) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685818
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCCc1cnc(CNC(=O)c2cnc(C(=O)O)cn2)s1
InChIInChI=1S/C12H12N4O3S/c1-2-7-3-15-10(20-7)6-16-11(17)8-4-14-9(5-13-8)12(18)19/h3-5H,2,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyCHHKBRKWNHFCEL-UHFFFAOYSA-N
XLogP1.12
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685817
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103709190
2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 103814839
4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 103709203
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 103718321
2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide
CID 103709212
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103709233
3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 103709249
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235
5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid
CID 146092792

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid (CID 120685818) is 5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid is CCc1cnc(CNC(=O)c2cnc(C(=O)O)cn2)s1.
What is the InChIKey of 5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is CHHKBRKWNHFCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-2-7-3-15-10(20-7)6-16-11(17)8-4-14-9(5-13-8)12(18)19/h3-5H,2,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid?
5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).