N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide

C15H14N4OS — CID 46426584

IUPACN-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2s1)c1cnccn1
InChIInChI=1S/C15H14N4OS/c20-15(12-10-16-8-9-17-12)18-7-3-6-14-19-11-4-1-2-5-13(11)21-14/h1-2,4-5,8-10H,3,6-7H2,(H,18,20)
InChIKeyUGOSXBJSSRKCHK-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.45
Rot. Bonds5

About N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide

N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide (PubChem CID 46426584) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide
PubChem CID46426584
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2s1)c1cnccn1
InChIInChI=1S/C15H14N4OS/c20-15(12-10-16-8-9-17-12)18-7-3-6-14-19-11-4-1-2-5-13(11)21-14/h1-2,4-5,8-10H,3,6-7H2,(H,18,20)
InChIKeyUGOSXBJSSRKCHK-UHFFFAOYSA-N
XLogP2.45
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide
CID 30370261
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide
CID 47027909
N-[3-(1,3-benzothiazol-2-yl)propyl]-2,5-dimethylthiophene-3-carboxamide
CID 38901273
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
CID 8990873
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide
CID 43069942
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-bromo-2-fluorobenzamide
CID 46426520
N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41247806
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(3-methoxyphenyl)acetamide
CID 46426483
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43071369
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide (CID 46426584) is N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide is O=C(NCCCc1nc2ccccc2s1)c1cnccn1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide?
The InChIKey is UGOSXBJSSRKCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c20-15(12-10-16-8-9-17-12)18-7-3-6-14-19-11-4-1-2-5-13(11)21-14/h1-2,4-5,8-10H,3,6-7H2,(H,18,20).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide?
N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 46426584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).