2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide

C12H15N5OS — CID 50959762

IUPAC2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide
SMILESCC(c1nccs1)N(C)CC(=O)Nc1cnccn1
InChIInChI=1S/C12H15N5OS/c1-9(12-15-5-6-19-12)17(2)8-11(18)16-10-7-13-3-4-14-10/h3-7,9H,8H2,1-2H3,(H,14,16,18)
InChIKeyJUVLRHUGNIFPKI-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.56
Rot. Bonds5

About 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide

2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide (PubChem CID 50959762) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide
PubChem CID50959762
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide
SMILESCC(c1nccs1)N(C)CC(=O)Nc1cnccn1
InChIInChI=1S/C12H15N5OS/c1-9(12-15-5-6-19-12)17(2)8-11(18)16-10-7-13-3-4-14-10/h3-7,9H,8H2,1-2H3,(H,14,16,18)
InChIKeyJUVLRHUGNIFPKI-UHFFFAOYSA-N
XLogP1.56
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide (CID 50959762) is 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide is CC(c1nccs1)N(C)CC(=O)Nc1cnccn1.
What is the InChIKey of 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide?
The InChIKey is JUVLRHUGNIFPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-9(12-15-5-6-19-12)17(2)8-11(18)16-10-7-13-3-4-14-10/h3-7,9H,8H2,1-2H3,(H,14,16,18).
What are the key properties of 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide?
2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide has a molecular weight of 277.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 50959762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).