N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine

C27H23N5S — CID 45274136

IUPACN-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine
SMILESCCn1c2ccccc2c2cc(CNc3cnc(-c4ccc5sc(C)nc5c4)cn3)ccc21
InChIInChI=1S/C27H23N5S/c1-3-32-24-7-5-4-6-20(24)21-12-18(8-10-25(21)32)14-29-27-16-28-23(15-30-27)19-9-11-26-22(13-19)31-17(2)33-26/h4-13,15-16H,3,14H2,1-2H3,(H,29,30)
InChIKeyFKPYNCWQZCFLRT-UHFFFAOYSA-N
MW449.58 g/mol
LogP6.80
Rot. Bonds5

About N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine

N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine (PubChem CID 45274136) has the molecular formula C27H23N5S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine
PubChem CID45274136
Molecular FormulaC27H23N5S
Molecular Weight449.58 g/mol
Exact Mass449.17
IUPAC NameN-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine
SMILESCCn1c2ccccc2c2cc(CNc3cnc(-c4ccc5sc(C)nc5c4)cn3)ccc21
InChIInChI=1S/C27H23N5S/c1-3-32-24-7-5-4-6-20(24)21-12-18(8-10-25(21)32)14-29-27-16-28-23(15-30-27)19-9-11-26-22(13-19)31-17(2)33-26/h4-13,15-16H,3,14H2,1-2H3,(H,29,30)
InChIKeyFKPYNCWQZCFLRT-UHFFFAOYSA-N
XLogP6.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine (CID 45274136) is N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine is CCn1c2ccccc2c2cc(CNc3cnc(-c4ccc5sc(C)nc5c4)cn3)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine?
The InChIKey is FKPYNCWQZCFLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5S/c1-3-32-24-7-5-4-6-20(24)21-12-18(8-10-25(21)32)14-29-27-16-28-23(15-30-27)19-9-11-26-22(13-19)31-17(2)33-26/h4-13,15-16H,3,14H2,1-2H3,(H,29,30).
What are the key properties of N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine?
N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine has a molecular weight of 449.58 g/mol, XLogP of 6.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 45274136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).