4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine

C21H23FN6OS — CID 71028984

IUPAC4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine
SMILESCOc1cc(C2N=C3SC=CN3C2c2ccnc(NC3CCNCC3)n2)ccc1F
InChIInChI=1S/C21H23FN6OS/c1-29-17-12-13(2-3-15(17)22)18-19(28-10-11-30-21(28)27-18)16-6-9-24-20(26-16)25-14-4-7-23-8-5-14/h2-3,6,9-12,14,18-19,23H,4-5,7-8H2,1H3,(H,24,25,26)
InChIKeyIWDFDDVBPCBFBA-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.46
Rot. Bonds5

About 4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine

4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 71028984) has the molecular formula C21H23FN6OS and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID71028984
Molecular FormulaC21H23FN6OS
Molecular Weight426.52 g/mol
Exact Mass426.16
IUPAC Name4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine
SMILESCOc1cc(C2N=C3SC=CN3C2c2ccnc(NC3CCNCC3)n2)ccc1F
InChIInChI=1S/C21H23FN6OS/c1-29-17-12-13(2-3-15(17)22)18-19(28-10-11-30-21(28)27-18)16-6-9-24-20(26-16)25-14-4-7-23-8-5-14/h2-3,6,9-12,14,18-19,23H,4-5,7-8H2,1H3,(H,24,25,26)
InChIKeyIWDFDDVBPCBFBA-UHFFFAOYSA-N
XLogP3.46
TPSA74.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine with MolForge

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Related Compounds

4-[6-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
CID 71010374
4-methyl-N-piperidin-4-ylpyrimidin-2-amine
CID 59744254
4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 54584009
2-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 70341229
N-piperidin-4-yl-4-propan-2-ylpyrimidin-2-amine
CID 58990485
1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 167449985
4-methoxy-N-piperidin-4-ylpyridin-2-amine
CID 11458426
4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 167449964
2-[(4-chloro-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyrimidin-4-amine
CID 164602374
4-cyclopropyl-N-piperidin-3-ylpyrimidin-2-amine
CID 83836771
5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698005
N-(4-fluoro-3-methoxyphenyl)-2-piperidin-4-yloxyacetamide
CID 114839705

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine (CID 71028984) is 4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine is COc1cc(C2N=C3SC=CN3C2c2ccnc(NC3CCNCC3)n2)ccc1F.
What is the InChIKey of 4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is IWDFDDVBPCBFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6OS/c1-29-17-12-13(2-3-15(17)22)18-19(28-10-11-30-21(28)27-18)16-6-9-24-20(26-16)25-14-4-7-23-8-5-14/h2-3,6,9-12,14,18-19,23H,4-5,7-8H2,1H3,(H,24,25,26).
What are the key properties of 4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine?
4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 426.52 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluoro-3-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 71028984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).