N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide

C15H13N5O2S — CID 30370261

IUPACN-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCCNC(=O)c1nc2ccccc2s1)c1cnccn1
InChIInChI=1S/C15H13N5O2S/c21-13(11-9-16-5-6-17-11)18-7-8-19-14(22)15-20-10-3-1-2-4-12(10)23-15/h1-6,9H,7-8H2,(H,18,21)(H,19,22)
InChIKeyFDYKJEFFIIKMMA-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.25
Rot. Bonds5

About N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide

N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 30370261) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide
PubChem CID30370261
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCCNC(=O)c1nc2ccccc2s1)c1cnccn1
InChIInChI=1S/C15H13N5O2S/c21-13(11-9-16-5-6-17-11)18-7-8-19-14(22)15-20-10-3-1-2-4-12(10)23-15/h1-6,9H,7-8H2,(H,18,21)(H,19,22)
InChIKeyFDYKJEFFIIKMMA-UHFFFAOYSA-N
XLogP1.25
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.25
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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Related Compounds

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide
CID 47027909
N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide
CID 46426584
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122162281
N-[2-(naphthalene-2-carbonylamino)ethyl]pyrazine-2-carboxamide
CID 8990855
N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide
CID 71724918
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[3-(1,3-benzothiazole-2-carbonylamino)-4-pyridinyl]-1,3-benzothiazole-2-carboxamide
CID 3308592
N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide
CID 27887675
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1,3-benzothiazole-2-carboxamide
CID 122314294
N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide
CID 49003633
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide
CID 30370193

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide (CID 30370261) is N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide is O=C(NCCNC(=O)c1nc2ccccc2s1)c1cnccn1.
What is the InChIKey of N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is FDYKJEFFIIKMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c21-13(11-9-16-5-6-17-11)18-7-8-19-14(22)15-20-10-3-1-2-4-12(10)23-15/h1-6,9H,7-8H2,(H,18,21)(H,19,22).
What are the key properties of N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide?
N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 30370261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).