2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

C22H21FN6S — CID 46916377

IUPAC2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCc1cccc(N2CCN(c3nc(N)nc4sc(-c5ccc(F)cc5)nc34)CC2)c1
InChIInChI=1S/C22H21FN6S/c1-14-3-2-4-17(13-14)28-9-11-29(12-10-28)19-18-21(27-22(24)26-19)30-20(25-18)15-5-7-16(23)8-6-15/h2-8,13H,9-12H2,1H3,(H2,24,26,27)
InChIKeyRSTBWUBZEGOJOB-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (PubChem CID 46916377) has the molecular formula C22H21FN6S and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
PubChem CID46916377
Molecular FormulaC22H21FN6S
Molecular Weight420.52 g/mol
Exact Mass420.15
IUPAC Name2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCc1cccc(N2CCN(c3nc(N)nc4sc(-c5ccc(F)cc5)nc34)CC2)c1
InChIInChI=1S/C22H21FN6S/c1-14-3-2-4-17(13-14)28-9-11-29(12-10-28)19-18-21(27-22(24)26-19)30-20(25-18)15-5-7-16(23)8-6-15/h2-8,13H,9-12H2,1H3,(H2,24,26,27)
InChIKeyRSTBWUBZEGOJOB-UHFFFAOYSA-N
XLogP4.11
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of 2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (CID 46916377) is 2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is Cc1cccc(N2CCN(c3nc(N)nc4sc(-c5ccc(F)cc5)nc34)CC2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is RSTBWUBZEGOJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6S/c1-14-3-2-4-17(13-14)28-9-11-29(12-10-28)19-18-21(27-22(24)26-19)30-20(25-18)15-5-7-16(23)8-6-15/h2-8,13H,9-12H2,1H3,(H2,24,26,27).
What are the key properties of 2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 420.52 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-[4-(3-methylphenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 46916377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).