6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide

C15H15N5OS — CID 75469836

IUPAC6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide
SMILESCC(CNc1cncc(C(N)=O)n1)c1nc2ccccc2s1
InChIInChI=1S/C15H15N5OS/c1-9(15-20-10-4-2-3-5-12(10)22-15)6-18-13-8-17-7-11(19-13)14(16)21/h2-5,7-9H,6H2,1H3,(H2,16,21)(H,18,19)
InChIKeyCEEYBKQANPWLOR-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.40
Rot. Bonds5

About 6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide

6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide (PubChem CID 75469836) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide
PubChem CID75469836
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide
SMILESCC(CNc1cncc(C(N)=O)n1)c1nc2ccccc2s1
InChIInChI=1S/C15H15N5OS/c1-9(15-20-10-4-2-3-5-12(10)22-15)6-18-13-8-17-7-11(19-13)14(16)21/h2-5,7-9H,6H2,1H3,(H2,16,21)(H,18,19)
InChIKeyCEEYBKQANPWLOR-UHFFFAOYSA-N
XLogP2.40
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133472762
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-methylsulfonylpropanamide
CID 86858216
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 94044935
(E)-N-[2-(1,3-benzothiazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide
CID 86858241
(Z)-N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 97456571
N-[2-(1,3-benzothiazol-2-yl)propyl]-6-chloropyridine-3-carboxamide
CID 86858161
2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide
CID 43545365
2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide
CID 112672683
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71846727
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1,3-benzothiazol-2-yl)propyl]acetamide
CID 49312086
N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97235757
(2S)-2-amino-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-methylbutanamide
CID 18664320

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide?
The IUPAC name of 6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide (CID 75469836) is 6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide is CC(CNc1cncc(C(N)=O)n1)c1nc2ccccc2s1.
What is the InChIKey of 6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide?
The InChIKey is CEEYBKQANPWLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-9(15-20-10-4-2-3-5-12(10)22-15)6-18-13-8-17-7-11(19-13)14(16)21/h2-5,7-9H,6H2,1H3,(H2,16,21)(H,18,19).
What are the key properties of 6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide?
6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,3-benzothiazol-2-yl)propylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 75469836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).