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

C23H31F2N5OS — CID 156735061

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(3,5-difluoro-2-pyridinyl)methyl]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N2CCC(N3CCC[C@@H](C)C3)CC2)sc1C(=O)NCc1ncc(F)cc1F
InChIInChI=1S/C23H31F2N5OS/c1-3-19-21(22(31)27-13-20-18(25)11-16(24)12-26-20)32-23(28-19)29-9-6-17(7-10-29)30-8-4-5-15(2)14-30/h11-12,15,17H,3-10,13-14H2,1-2H3,(H,27,31)/t15-/m1/s1
InChIKeyQONUDKILKDMADU-OAHLLOKOSA-N
MW463.60 g/mol
LogP4.01
Rot. Bonds6

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

N-[(3,5-difluoro-2-pyridinyl)methyl]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 156735061) has the molecular formula C23H31F2N5OS and a molecular weight of 463.60 g/mol. Its IUPAC name is N-[(3,5-difluoro-2-pyridinyl)methyl]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluoro-2-pyridinyl)methyl]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID156735061
Molecular FormulaC23H31F2N5OS
Molecular Weight463.60 g/mol
Exact Mass463.22
IUPAC NameN-[(3,5-difluoro-2-pyridinyl)methyl]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N2CCC(N3CCC[C@@H](C)C3)CC2)sc1C(=O)NCc1ncc(F)cc1F
InChIInChI=1S/C23H31F2N5OS/c1-3-19-21(22(31)27-13-20-18(25)11-16(24)12-26-20)32-23(28-19)29-9-6-17(7-10-29)30-8-4-5-15(2)14-30/h11-12,15,17H,3-10,13-14H2,1-2H3,(H,27,31)/t15-/m1/s1
InChIKeyQONUDKILKDMADU-OAHLLOKOSA-N
XLogP4.01
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.01
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]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 156735061) is N-[(3,5-difluoro-2-pyridinyl)methyl]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-difluoro-2-pyridinyl)methyl]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,5-difluoro-2-pyridinyl)methyl]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is CCc1nc(N2CCC(N3CCC[C@@H](C)C3)CC2)sc1C(=O)NCc1ncc(F)cc1F.
What is the InChIKey of N-[(3,5-difluoro-2-pyridinyl)methyl]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is QONUDKILKDMADU-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H31F2N5OS/c1-3-19-21(22(31)27-13-20-18(25)11-16(24)12-26-20)32-23(28-19)29-9-6-17(7-10-29)30-8-4-5-15(2)14-30/h11-12,15,17H,3-10,13-14H2,1-2H3,(H,27,31)/t15-/m1/s1.
What are the key properties of N-[(3,5-difluoro-2-pyridinyl)methyl]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-[(3,5-difluoro-2-pyridinyl)methyl]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 4.01, 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]-4-ethyl-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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