4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine

C21H22FN7S — CID 44579300

IUPAC4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
SMILESCN1CCN(Cc2cn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C21H22FN7S/c1-27-8-10-28(11-9-27)12-16-13-29-19(17-6-7-24-20(23)25-17)18(26-21(29)30-16)14-2-4-15(22)5-3-14/h2-7,13H,8-12H2,1H3,(H2,23,24,25)
InChIKeyGJCZOLCADXPMSY-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.99
Rot. Bonds4

About 4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine

4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine (PubChem CID 44579300) has the molecular formula C21H22FN7S and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
PubChem CID44579300
Molecular FormulaC21H22FN7S
Molecular Weight423.52 g/mol
Exact Mass423.16
IUPAC Name4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
SMILESCN1CCN(Cc2cn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C21H22FN7S/c1-27-8-10-28(11-9-27)12-16-13-29-19(17-6-7-24-20(23)25-17)18(26-21(29)30-16)14-2-4-15(22)5-3-14/h2-7,13H,8-12H2,1H3,(H2,23,24,25)
InChIKeyGJCZOLCADXPMSY-UHFFFAOYSA-N
XLogP2.99
TPSA75.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine (CID 44579300) is 4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine is CN1CCN(Cc2cn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3s2)CC1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is GJCZOLCADXPMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7S/c1-27-8-10-28(11-9-27)12-16-13-29-19(17-6-7-24-20(23)25-17)18(26-21(29)30-16)14-2-4-15(22)5-3-14/h2-7,13H,8-12H2,1H3,(H2,23,24,25).
What are the key properties of 4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine?
4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 423.52 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 44579300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).