3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide

C12H15N5OS — CID 56785829

IUPAC3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide
SMILESCCc1ncc(CN(C)C(=O)c2nccnc2N)s1
InChIInChI=1S/C12H15N5OS/c1-3-9-16-6-8(19-9)7-17(2)12(18)10-11(13)15-5-4-14-10/h4-6H,3,7H2,1-2H3,(H2,13,15)
InChIKeyLFTZEHHDBNUWKA-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.35
Rot. Bonds4

About 3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide

3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide (PubChem CID 56785829) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide
PubChem CID56785829
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide
SMILESCCc1ncc(CN(C)C(=O)c2nccnc2N)s1
InChIInChI=1S/C12H15N5OS/c1-3-9-16-6-8(19-9)7-17(2)12(18)10-11(13)15-5-4-14-10/h4-6H,3,7H2,1-2H3,(H2,13,15)
InChIKeyLFTZEHHDBNUWKA-UHFFFAOYSA-N
XLogP1.35
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide (CID 56785829) is 3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide is CCc1ncc(CN(C)C(=O)c2nccnc2N)s1.
What is the InChIKey of 3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is LFTZEHHDBNUWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-3-9-16-6-8(19-9)7-17(2)12(18)10-11(13)15-5-4-14-10/h4-6H,3,7H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide?
3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 56785829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).