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

C10H10ClN5OS — CID 47374033

IUPAC4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCNc1cnccn1)c1scnc1Cl
InChIInChI=1S/C10H10ClN5OS/c11-9-8(18-6-16-9)10(17)15-4-3-14-7-5-12-1-2-13-7/h1-2,5-6H,3-4H2,(H,13,14)(H,15,17)
InChIKeyABEYPKOXBXTFFT-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.43
Rot. Bonds5

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

4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47374033) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is 4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47374033
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC Name4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCNc1cnccn1)c1scnc1Cl
InChIInChI=1S/C10H10ClN5OS/c11-9-8(18-6-16-9)10(17)15-4-3-14-7-5-12-1-2-13-7/h1-2,5-6H,3-4H2,(H,13,14)(H,15,17)
InChIKeyABEYPKOXBXTFFT-UHFFFAOYSA-N
XLogP1.43
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.43
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-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 47374033) is 4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is O=C(NCCNc1cnccn1)c1scnc1Cl.
What is the InChIKey of 4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ABEYPKOXBXTFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c11-9-8(18-6-16-9)10(17)15-4-3-14-7-5-12-1-2-13-7/h1-2,5-6H,3-4H2,(H,13,14)(H,15,17).
What are the key properties of 4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 283.74 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47374033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).