N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide

C12H14N4O2S — CID 91789068

IUPACN-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide
SMILESCOCc1nc(C)c(CNC(=O)c2cnccn2)s1
InChIInChI=1S/C12H14N4O2S/c1-8-10(19-11(16-8)7-18-2)6-15-12(17)9-5-13-3-4-14-9/h3-5H,6-7H2,1-2H3,(H,15,17)
InChIKeyGDLFBVYMUDHXPR-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.32
Rot. Bonds5

About N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide

N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide (PubChem CID 91789068) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide
PubChem CID91789068
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide
SMILESCOCc1nc(C)c(CNC(=O)c2cnccn2)s1
InChIInChI=1S/C12H14N4O2S/c1-8-10(19-11(16-8)7-18-2)6-15-12(17)9-5-13-3-4-14-9/h3-5H,6-7H2,1-2H3,(H,15,17)
InChIKeyGDLFBVYMUDHXPR-UHFFFAOYSA-N
XLogP1.32
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide (CID 91789068) is N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide is COCc1nc(C)c(CNC(=O)c2cnccn2)s1.
What is the InChIKey of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is GDLFBVYMUDHXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-10(19-11(16-8)7-18-2)6-15-12(17)9-5-13-3-4-14-9/h3-5H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide?
N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91789068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).