2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C20H16FN5S — CID 133477422

IUPAC2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESFc1ccc(-c2nc3c(s2)CCCC3Nc2ccc3nccnc3n2)cc1
InChIInChI=1S/C20H16FN5S/c21-13-6-4-12(5-7-13)20-26-18-14(2-1-3-16(18)27-20)24-17-9-8-15-19(25-17)23-11-10-22-15/h4-11,14H,1-3H2,(H,23,24,25)
InChIKeyZFJDJSPMLCWBSE-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.78
Rot. Bonds3

About 2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 133477422) has the molecular formula C20H16FN5S and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID133477422
Molecular FormulaC20H16FN5S
Molecular Weight377.45 g/mol
Exact Mass377.11
IUPAC Name2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESFc1ccc(-c2nc3c(s2)CCCC3Nc2ccc3nccnc3n2)cc1
InChIInChI=1S/C20H16FN5S/c21-13-6-4-12(5-7-13)20-26-18-14(2-1-3-16(18)27-20)24-17-9-8-15-19(25-17)23-11-10-22-15/h4-11,14H,1-3H2,(H,23,24,25)
InChIKeyZFJDJSPMLCWBSE-UHFFFAOYSA-N
XLogP4.78
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 133477422) is 2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is Fc1ccc(-c2nc3c(s2)CCCC3Nc2ccc3nccnc3n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is ZFJDJSPMLCWBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5S/c21-13-6-4-12(5-7-13)20-26-18-14(2-1-3-16(18)27-20)24-17-9-8-15-19(25-17)23-11-10-22-15/h4-11,14H,1-3H2,(H,23,24,25).
What are the key properties of 2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 377.45 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 133477422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).