N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide

C14H18N4O2S — CID 71994256

IUPACN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
SMILESCCOC(C)c1nc(CN(C)C(=O)c2cnccn2)cs1
InChIInChI=1S/C14H18N4O2S/c1-4-20-10(2)13-17-11(9-21-13)8-18(3)14(19)12-7-15-5-6-16-12/h5-7,9-10H,4,8H2,1-3H3
InChIKeyCPORFXHTVFEAJY-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.30
Rot. Bonds6

About N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide

N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide (PubChem CID 71994256) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
PubChem CID71994256
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
SMILESCCOC(C)c1nc(CN(C)C(=O)c2cnccn2)cs1
InChIInChI=1S/C14H18N4O2S/c1-4-20-10(2)13-17-11(9-21-13)8-18(3)14(19)12-7-15-5-6-16-12/h5-7,9-10H,4,8H2,1-3H3
InChIKeyCPORFXHTVFEAJY-UHFFFAOYSA-N
XLogP2.30
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide (CID 71994256) is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide is CCOC(C)c1nc(CN(C)C(=O)c2cnccn2)cs1.
What is the InChIKey of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is CPORFXHTVFEAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-4-20-10(2)13-17-11(9-21-13)8-18(3)14(19)12-7-15-5-6-16-12/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide?
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 71994256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).