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

C14H18N4O2S — CID 71976739

IUPACN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
SMILESCOC(C)c1nc(CN(C)C(=O)c2cnc(C)cn2)cs1
InChIInChI=1S/C14H18N4O2S/c1-9-5-16-12(6-15-9)14(19)18(3)7-11-8-21-13(17-11)10(2)20-4/h5-6,8,10H,7H2,1-4H3
InChIKeyICZOHELEKBLPFJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.22
Rot. Bonds5

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

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide (PubChem CID 71976739) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
PubChem CID71976739
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
SMILESCOC(C)c1nc(CN(C)C(=O)c2cnc(C)cn2)cs1
InChIInChI=1S/C14H18N4O2S/c1-9-5-16-12(6-15-9)14(19)18(3)7-11-8-21-13(17-11)10(2)20-4/h5-6,8,10H,7H2,1-4H3
InChIKeyICZOHELEKBLPFJ-UHFFFAOYSA-N
XLogP2.22
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide?
The IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide (CID 71976739) is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide?
The canonical SMILES for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide is COC(C)c1nc(CN(C)C(=O)c2cnc(C)cn2)cs1.
What is the InChIKey of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide?
The InChIKey is ICZOHELEKBLPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-5-16-12(6-15-9)14(19)18(3)7-11-8-21-13(17-11)10(2)20-4/h5-6,8,10H,7H2,1-4H3.
What are the key properties of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide?
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 71976739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).