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

C13H14N4O3S — CID 120685817

IUPAC5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCCc1cnc(CCNC(=O)c2cnc(C(=O)O)cn2)s1
InChIInChI=1S/C13H14N4O3S/c1-2-8-5-17-11(21-8)3-4-14-12(18)9-6-16-10(7-15-9)13(19)20/h5-7H,2-4H2,1H3,(H,14,18)(H,19,20)
InChIKeyVXJVHSXTQKCKRH-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.17
Rot. Bonds6

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

5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685817) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685817
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCCc1cnc(CCNC(=O)c2cnc(C(=O)O)cn2)s1
InChIInChI=1S/C13H14N4O3S/c1-2-8-5-17-11(21-8)3-4-14-12(18)9-6-16-10(7-15-9)13(19)20/h5-7H,2-4H2,1H3,(H,14,18)(H,19,20)
InChIKeyVXJVHSXTQKCKRH-UHFFFAOYSA-N
XLogP1.17
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818
4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 122004240
2-(4-aminophenyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119895978
(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119896002
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 71994022
4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 71994048
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508868
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide
CID 138026322
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026320
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 71867691
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137
1-cyclopropyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111508866

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid (CID 120685817) is 5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid is CCc1cnc(CCNC(=O)c2cnc(C(=O)O)cn2)s1.
What is the InChIKey of 5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is VXJVHSXTQKCKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-2-8-5-17-11(21-8)3-4-14-12(18)9-6-16-10(7-15-9)13(19)20/h5-7H,2-4H2,1H3,(H,14,18)(H,19,20).
What are the key properties of 5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 306.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).