2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide

C15H20N4O2S — CID 166281118

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cnc(CNC(=O)c2cnc(COC(C)(C)C)s2)cn1
InChIInChI=1S/C15H20N4O2S/c1-10-5-17-11(6-16-10)7-19-14(20)12-8-18-13(22-12)9-21-15(2,3)4/h5-6,8H,7,9H2,1-4H3,(H,19,20)
InChIKeyACSCEMIRSXMOKO-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.49
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide

2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 166281118) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID166281118
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cnc(CNC(=O)c2cnc(COC(C)(C)C)s2)cn1
InChIInChI=1S/C15H20N4O2S/c1-10-5-17-11(6-16-10)7-19-14(20)12-8-18-13(22-12)9-21-15(2,3)4/h5-6,8H,7,9H2,1-4H3,(H,19,20)
InChIKeyACSCEMIRSXMOKO-UHFFFAOYSA-N
XLogP2.49
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 166281118) is 2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1cnc(CNC(=O)c2cnc(COC(C)(C)C)s2)cn1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ACSCEMIRSXMOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-5-17-11(6-16-10)7-19-14(20)12-8-18-13(22-12)9-21-15(2,3)4/h5-6,8H,7,9H2,1-4H3,(H,19,20).
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxymethyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166281118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).