5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid

C16H15FN4O2S — CID 70659766

IUPAC5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1ccc(F)cc1
InChIInChI=1S/C16H15FN4O2S/c1-8(2)21(3)13-11(9-4-6-10(17)7-5-9)18-12-14(20-13)24-15(19-12)16(22)23/h4-8H,1-3H3,(H,22,23)
InChIKeyFHKNSFORWGBZKS-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.44
Rot. Bonds4

About 5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid

5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid (PubChem CID 70659766) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
PubChem CID70659766
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1ccc(F)cc1
InChIInChI=1S/C16H15FN4O2S/c1-8(2)21(3)13-11(9-4-6-10(17)7-5-9)18-12-14(20-13)24-15(19-12)16(22)23/h4-8H,1-3H3,(H,22,23)
InChIKeyFHKNSFORWGBZKS-UHFFFAOYSA-N
XLogP3.44
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid (CID 70659766) is 5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid is CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid?
The InChIKey is FHKNSFORWGBZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-8(2)21(3)13-11(9-4-6-10(17)7-5-9)18-12-14(20-13)24-15(19-12)16(22)23/h4-8H,1-3H3,(H,22,23).
What are the key properties of 5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid?
5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid has a molecular weight of 346.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid is sourced from PubChem (CID 70659766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).