N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide

C20H20FN5OS — CID 91814101

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(c2ncc(F)cn2)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H20FN5OS/c21-16-11-23-20(24-12-16)26-8-6-14(7-9-26)10-22-18(27)17-13-28-19(25-17)15-4-2-1-3-5-15/h1-5,11-14H,6-10H2,(H,22,27)
InChIKeyUHJPBOHSWBTGTF-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.39
Rot. Bonds5

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 91814101) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID91814101
Molecular FormulaC20H20FN5OS
Molecular Weight397.48 g/mol
Exact Mass397.14
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(c2ncc(F)cn2)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H20FN5OS/c21-16-11-23-20(24-12-16)26-8-6-14(7-9-26)10-22-18(27)17-13-28-19(25-17)15-4-2-1-3-5-15/h1-5,11-14H,6-10H2,(H,22,27)
InChIKeyUHJPBOHSWBTGTF-UHFFFAOYSA-N
XLogP3.39
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 91814101) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide is O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is UHJPBOHSWBTGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS/c21-16-11-23-20(24-12-16)26-8-6-14(7-9-26)10-22-18(27)17-13-28-19(25-17)15-4-2-1-3-5-15/h1-5,11-14H,6-10H2,(H,22,27).
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91814101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).