N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine

C22H21FN6OS — CID 155563141

IUPACN-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine
SMILESCc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)on1
InChIInChI=1S/C22H21FN6OS/c1-13-12-18(30-29-13)27-22-25-11-8-17(26-22)20-19(14-2-4-16(23)5-3-14)28-21(31-20)15-6-9-24-10-7-15/h2-5,8,11-12,15,24H,6-7,9-10H2,1H3,(H,25,26,27)
InChIKeyQSVQOBYHXIDZGB-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.91
Rot. Bonds5

About N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine

N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine (PubChem CID 155563141) has the molecular formula C22H21FN6OS and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine
PubChem CID155563141
Molecular FormulaC22H21FN6OS
Molecular Weight436.52 g/mol
Exact Mass436.15
IUPAC NameN-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine
SMILESCc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)on1
InChIInChI=1S/C22H21FN6OS/c1-13-12-18(30-29-13)27-22-25-11-8-17(26-22)20-19(14-2-4-16(23)5-3-14)28-21(31-20)15-6-9-24-10-7-15/h2-5,8,11-12,15,24H,6-7,9-10H2,1H3,(H,25,26,27)
InChIKeyQSVQOBYHXIDZGB-UHFFFAOYSA-N
XLogP4.91
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine (CID 155563141) is N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine is Cc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)on1.
What is the InChIKey of N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine?
The InChIKey is QSVQOBYHXIDZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6OS/c1-13-12-18(30-29-13)27-22-25-11-8-17(26-22)20-19(14-2-4-16(23)5-3-14)28-21(31-20)15-6-9-24-10-7-15/h2-5,8,11-12,15,24H,6-7,9-10H2,1H3,(H,25,26,27).
What are the key properties of N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine?
N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine has a molecular weight of 436.52 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 155563141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).