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

C19H18FN5OS — CID 58541651

IUPAC4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine
SMILESCOCC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1
InChIInChI=1S/C19H18FN5OS/c1-12(11-26-2)22-18-21-8-7-15(23-18)17-16(13-3-5-14(20)6-4-13)24-19-25(17)9-10-27-19/h3-10,12H,11H2,1-2H3,(H,21,22,23)
InChIKeyZDRPQLPHQWMWLH-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.11
Rot. Bonds6

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

4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine (PubChem CID 58541651) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine
PubChem CID58541651
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine
SMILESCOCC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1
InChIInChI=1S/C19H18FN5OS/c1-12(11-26-2)22-18-21-8-7-15(23-18)17-16(13-3-5-14(20)6-4-13)24-19-25(17)9-10-27-19/h3-10,12H,11H2,1-2H3,(H,21,22,23)
InChIKeyZDRPQLPHQWMWLH-UHFFFAOYSA-N
XLogP4.11
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine (CID 58541651) is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine is COCC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1.
What is the InChIKey of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine?
The InChIKey is ZDRPQLPHQWMWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c1-12(11-26-2)22-18-21-8-7-15(23-18)17-16(13-3-5-14(20)6-4-13)24-19-25(17)9-10-27-19/h3-10,12H,11H2,1-2H3,(H,21,22,23).
What are the key properties of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine?
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine has a molecular weight of 383.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-(1-methoxypropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 58541651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).