5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid

C12H12N4O3S — CID 120685501

IUPAC5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCc1ncsc1CN(C)C(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C12H12N4O3S/c1-7-10(20-6-15-7)5-16(2)11(17)8-3-14-9(4-13-8)12(18)19/h3-4,6H,5H2,1-2H3,(H,18,19)
InChIKeyJPQQDKLBHIJLBY-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.21
Rot. Bonds4

About 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid

5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685501) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685501
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCc1ncsc1CN(C)C(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C12H12N4O3S/c1-7-10(20-6-15-7)5-16(2)11(17)8-3-14-9(4-13-8)12(18)19/h3-4,6H,5H2,1-2H3,(H,18,19)
InChIKeyJPQQDKLBHIJLBY-UHFFFAOYSA-N
XLogP1.21
TPSA96.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
2-(2-aminoethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646179
3,5-dihydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104939000
4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63821276
4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 82832587
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 63836696
2-methyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanoic acid
CID 79413835
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 104742351
2-fluoro-6-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104917513
N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 128991100
5-bromo-N-methyl-2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 63838945

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid (CID 120685501) is 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid is Cc1ncsc1CN(C)C(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is JPQQDKLBHIJLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-7-10(20-6-15-7)5-16(2)11(17)8-3-14-9(4-13-8)12(18)19/h3-4,6H,5H2,1-2H3,(H,18,19).
What are the key properties of 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid?
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).