4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine

C20H22FN5S — CID 143376446

IUPAC4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2sc(C3CCN(C)CC3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN5S/c1-22-20-23-10-7-16(24-20)18-17(13-3-5-15(21)6-4-13)25-19(27-18)14-8-11-26(2)12-9-14/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,22,23,24)
InChIKeyJJPBOCLQZCNQLJ-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.26
Rot. Bonds4

About 4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine

4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine (PubChem CID 143376446) has the molecular formula C20H22FN5S and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
PubChem CID143376446
Molecular FormulaC20H22FN5S
Molecular Weight383.50 g/mol
Exact Mass383.16
IUPAC Name4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2sc(C3CCN(C)CC3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN5S/c1-22-20-23-10-7-16(24-20)18-17(13-3-5-15(21)6-4-13)25-19(27-18)14-8-11-26(2)12-9-14/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,22,23,24)
InChIKeyJJPBOCLQZCNQLJ-UHFFFAOYSA-N
XLogP4.26
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine (CID 143376446) is 4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2sc(C3CCN(C)CC3)nc2-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine?
The InChIKey is JJPBOCLQZCNQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5S/c1-22-20-23-10-7-16(24-20)18-17(13-3-5-15(21)6-4-13)25-19(27-18)14-8-11-26(2)12-9-14/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine?
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine has a molecular weight of 383.50 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 143376446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).