3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile

C14H11N5OS — CID 62684349

IUPAC3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile
SMILESCCOc1ccc2nc(Nc3nccnc3C#N)sc2c1
InChIInChI=1S/C14H11N5OS/c1-2-20-9-3-4-10-12(7-9)21-14(18-10)19-13-11(8-15)16-5-6-17-13/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyLWVXVBNKDZUQRV-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.10
Rot. Bonds4

About 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile

3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile (PubChem CID 62684349) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile
PubChem CID62684349
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile
SMILESCCOc1ccc2nc(Nc3nccnc3C#N)sc2c1
InChIInChI=1S/C14H11N5OS/c1-2-20-9-3-4-10-12(7-9)21-14(18-10)19-13-11(8-15)16-5-6-17-13/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyLWVXVBNKDZUQRV-UHFFFAOYSA-N
XLogP3.10
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile
CID 64587663
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
CID 116796248
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1H-benzimidazole-4-carbonitrile
CID 172634499
N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 63874590
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908770
5-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-2-carboxamide
CID 39088470
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine
CID 7109945
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640590

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile (CID 62684349) is 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile is CCOc1ccc2nc(Nc3nccnc3C#N)sc2c1.
What is the InChIKey of 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is LWVXVBNKDZUQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c1-2-20-9-3-4-10-12(7-9)21-14(18-10)19-13-11(8-15)16-5-6-17-13/h3-7H,2H2,1H3,(H,17,18,19).
What are the key properties of 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile?
3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 297.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62684349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).