5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile

C16H15N5S — CID 133484499

IUPAC5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile
SMILESCC(C)(C)c1nc2ccc(Nc3cnc(C#N)cn3)cc2s1
InChIInChI=1S/C16H15N5S/c1-16(2,3)15-21-12-5-4-10(6-13(12)22-15)20-14-9-18-11(7-17)8-19-14/h4-6,8-9H,1-3H3,(H,19,20)
InChIKeyULUCMXFBXLJCIO-UHFFFAOYSA-N
MW309.40 g/mol
LogP4.00
Rot. Bonds2

About 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile

5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile (PubChem CID 133484499) has the molecular formula C16H15N5S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile
PubChem CID133484499
Molecular FormulaC16H15N5S
Molecular Weight309.40 g/mol
Exact Mass309.10
IUPAC Name5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile
SMILESCC(C)(C)c1nc2ccc(Nc3cnc(C#N)cn3)cc2s1
InChIInChI=1S/C16H15N5S/c1-16(2,3)15-21-12-5-4-10(6-13(12)22-15)20-14-9-18-11(7-17)8-19-14/h4-6,8-9H,1-3H3,(H,19,20)
InChIKeyULUCMXFBXLJCIO-UHFFFAOYSA-N
XLogP4.00
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile
CID 100621011
6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile
CID 47150241
5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile
CID 133484842
5-(3,5-dimethylanilino)pyrazine-2-carbonitrile
CID 63658538
N-[2,4-bis(methylsulfonyl)phenyl]-2-tert-butyl-1,3-benzothiazol-6-amine
CID 133324024
5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile
CID 133484054
2-tert-butyl-1,3-benzothiazole-5-carbonitrile
CID 117308454
5-(3-fluoro-5-methylanilino)pyrazine-2-carbonitrile
CID 79049483
(2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide
CID 119317979
2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride
CID 119317982
2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
CID 170267129
5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile
CID 133484065

Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile (CID 133484499) is 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile is CC(C)(C)c1nc2ccc(Nc3cnc(C#N)cn3)cc2s1.
What is the InChIKey of 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is ULUCMXFBXLJCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5S/c1-16(2,3)15-21-12-5-4-10(6-13(12)22-15)20-14-9-18-11(7-17)8-19-14/h4-6,8-9H,1-3H3,(H,19,20).
What are the key properties of 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile?
5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 309.40 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133484499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).