3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid

C12H13N3O3S — CID 82441990

IUPAC3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid
SMILESCOCc1nc(-c2cnccn2)sc1CCC(=O)O
InChIInChI=1S/C12H13N3O3S/c1-18-7-9-10(2-3-11(16)17)19-12(15-9)8-6-13-4-5-14-8/h4-6H,2-3,7H2,1H3,(H,16,17)
InChIKeyWNEWMZORCCJNMZ-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.76
Rot. Bonds6

About 3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid

3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid (PubChem CID 82441990) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid
PubChem CID82441990
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid
SMILESCOCc1nc(-c2cnccn2)sc1CCC(=O)O
InChIInChI=1S/C12H13N3O3S/c1-18-7-9-10(2-3-11(16)17)19-12(15-9)8-6-13-4-5-14-8/h4-6H,2-3,7H2,1H3,(H,16,17)
InChIKeyWNEWMZORCCJNMZ-UHFFFAOYSA-N
XLogP1.76
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82441971
3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82440255
3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
CID 82428678
3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid
CID 82440885
2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82440343
(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanol
CID 2776508
3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441961
2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanamine
CID 79153257
3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82432663
ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate
CID 2740342
3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82431422
N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366269

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid (CID 82441990) is 3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid is COCc1nc(-c2cnccn2)sc1CCC(=O)O.
What is the InChIKey of 3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is WNEWMZORCCJNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-18-7-9-10(2-3-11(16)17)19-12(15-9)8-6-13-4-5-14-8/h4-6H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid?
3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 279.32 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82441990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).