4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

C11H13N5OS — CID 47283805

IUPAC4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCNc1cnccn1
InChIInChI=1S/C11H13N5OS/c1-8-10(18-7-16-8)11(17)15-5-4-14-9-6-12-2-3-13-9/h2-3,6-7H,4-5H2,1H3,(H,13,14)(H,15,17)
InChIKeyMFBMYFLJFGBZCL-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.08
Rot. Bonds5

About 4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47283805) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47283805
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCNc1cnccn1
InChIInChI=1S/C11H13N5OS/c1-8-10(18-7-16-8)11(17)15-5-4-14-9-6-12-2-3-13-9/h2-3,6-7H,4-5H2,1H3,(H,13,14)(H,15,17)
InChIKeyMFBMYFLJFGBZCL-UHFFFAOYSA-N
XLogP1.08
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 47283805) is 4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCCNc1cnccn1.
What is the InChIKey of 4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MFBMYFLJFGBZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-8-10(18-7-16-8)11(17)15-5-4-14-9-6-12-2-3-13-9/h2-3,6-7H,4-5H2,1H3,(H,13,14)(H,15,17).
What are the key properties of 4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 263.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47283805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).