N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide

C26H29F2N5OS — CID 156735066

IUPACN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(c4ccccc4)C3)CC2)s1
InChIInChI=1S/C26H29F2N5OS/c27-20-13-22(28)23(29-14-20)15-30-25(34)24-16-31-26(35-24)32-11-8-21(9-12-32)33-10-4-7-19(17-33)18-5-2-1-3-6-18/h1-3,5-6,13-14,16,19,21H,4,7-12,15,17H2,(H,30,34)
InChIKeyVJPHJUDXYLAVDA-UHFFFAOYSA-N
MW497.62 g/mol
LogP4.59
Rot. Bonds6

About N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide

N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 156735066) has the molecular formula C26H29F2N5OS and a molecular weight of 497.62 g/mol. Its IUPAC name is N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID156735066
Molecular FormulaC26H29F2N5OS
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(c4ccccc4)C3)CC2)s1
InChIInChI=1S/C26H29F2N5OS/c27-20-13-22(28)23(29-14-20)15-30-25(34)24-16-31-26(35-24)32-11-8-21(9-12-32)33-10-4-7-19(17-33)18-5-2-1-3-6-18/h1-3,5-6,13-14,16,19,21H,4,7-12,15,17H2,(H,30,34)
InChIKeyVJPHJUDXYLAVDA-UHFFFAOYSA-N
XLogP4.59
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 156735066) is N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(c4ccccc4)C3)CC2)s1.
What is the InChIKey of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is VJPHJUDXYLAVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5OS/c27-20-13-22(28)23(29-14-20)15-30-25(34)24-16-31-26(35-24)32-11-8-21(9-12-32)33-10-4-7-19(17-33)18-5-2-1-3-6-18/h1-3,5-6,13-14,16,19,21H,4,7-12,15,17H2,(H,30,34).
What are the key properties of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-phenylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).