N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide

C15H17FN4OS — CID 164636058

IUPACN-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC[C@H]1CCCN(c2ccncc2F)C1)c1cscn1
InChIInChI=1S/C15H17FN4OS/c16-12-7-17-4-3-14(12)20-5-1-2-11(8-20)6-18-15(21)13-9-22-10-19-13/h3-4,7,9-11H,1-2,5-6,8H2,(H,18,21)/t11-/m1/s1
InChIKeyLPHCXXNMHFEYFA-LLVKDONJSA-N
MW320.39 g/mol
LogP2.32
Rot. Bonds4

About N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 164636058) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID164636058
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC NameN-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC[C@H]1CCCN(c2ccncc2F)C1)c1cscn1
InChIInChI=1S/C15H17FN4OS/c16-12-7-17-4-3-14(12)20-5-1-2-11(8-20)6-18-15(21)13-9-22-10-19-13/h3-4,7,9-11H,1-2,5-6,8H2,(H,18,21)/t11-/m1/s1
InChIKeyLPHCXXNMHFEYFA-LLVKDONJSA-N
XLogP2.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide (CID 164636058) is N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NC[C@H]1CCCN(c2ccncc2F)C1)c1cscn1.
What is the InChIKey of N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LPHCXXNMHFEYFA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN4OS/c16-12-7-17-4-3-14(12)20-5-1-2-11(8-20)6-18-15(21)13-9-22-10-19-13/h3-4,7,9-11H,1-2,5-6,8H2,(H,18,21)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164636058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).