N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine

C18H18N6S — CID 133426347

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCCc3nc4ccccc4s3)n2)n1
InChIInChI=1S/C18H18N6S/c1-12-9-13(2)24(23-12)17-11-19-10-16(22-17)20-8-7-18-21-14-5-3-4-6-15(14)25-18/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)
InChIKeyPRGZJBJEJXRUSR-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.54
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine

N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine (PubChem CID 133426347) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
PubChem CID133426347
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCCc3nc4ccccc4s3)n2)n1
InChIInChI=1S/C18H18N6S/c1-12-9-13(2)24(23-12)17-11-19-10-16(22-17)20-8-7-18-21-14-5-3-4-6-15(14)25-18/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)
InChIKeyPRGZJBJEJXRUSR-UHFFFAOYSA-N
XLogP3.54
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
CID 133285009
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133347496
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 166183273
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283221
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazin-2-amine
CID 133366343
N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
CID 133284708
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
2-(2-chlorophenyl)-1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-2-ol
CID 133472206
6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine
CID 133296904
1,3-benzothiazol-2-ylmethyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55645662
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 133283577

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine (CID 133426347) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NCCc3nc4ccccc4s3)n2)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The InChIKey is PRGZJBJEJXRUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-12-9-13(2)24(23-12)17-11-19-10-16(22-17)20-8-7-18-21-14-5-3-4-6-15(14)25-18/h3-6,9-11H,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine has a molecular weight of 350.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 133426347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).