N-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide

C18H19FN6OS — CID 141313509

IUPACN-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1nccc(N2CCN(c3cccc(F)c3)CC2)n1)C1CN=CS1
InChIInChI=1S/C18H19FN6OS/c19-13-2-1-3-14(10-13)24-6-8-25(9-7-24)16-4-5-21-18(22-16)23-17(26)15-11-20-12-27-15/h1-5,10,12,15H,6-9,11H2,(H,21,22,23,26)
InChIKeyLUOPTSQWFSQHSY-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.02
Rot. Bonds4

About N-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide

N-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide (PubChem CID 141313509) has the molecular formula C18H19FN6OS and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide
PubChem CID141313509
Molecular FormulaC18H19FN6OS
Molecular Weight386.46 g/mol
Exact Mass386.13
IUPAC NameN-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1nccc(N2CCN(c3cccc(F)c3)CC2)n1)C1CN=CS1
InChIInChI=1S/C18H19FN6OS/c19-13-2-1-3-14(10-13)24-6-8-25(9-7-24)16-4-5-21-18(22-16)23-17(26)15-11-20-12-27-15/h1-5,10,12,15H,6-9,11H2,(H,21,22,23,26)
InChIKeyLUOPTSQWFSQHSY-UHFFFAOYSA-N
XLogP2.02
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide (CID 141313509) is N-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide is O=C(Nc1nccc(N2CCN(c3cccc(F)c3)CC2)n1)C1CN=CS1.
What is the InChIKey of N-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
The InChIKey is LUOPTSQWFSQHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6OS/c19-13-2-1-3-14(10-13)24-6-8-25(9-7-24)16-4-5-21-18(22-16)23-17(26)15-11-20-12-27-15/h1-5,10,12,15H,6-9,11H2,(H,21,22,23,26).
What are the key properties of N-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
N-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141313509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).