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

C23H31F2N5O2S — CID 156735223

IUPACN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[3-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCOCCC1CCCN(C2CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC2)C1
InChIInChI=1S/C23H31F2N5O2S/c1-32-10-6-16-3-2-7-30(15-16)18-4-8-29(9-5-18)23-28-14-21(33-23)22(31)27-13-20-19(25)11-17(24)12-26-20/h11-12,14,16,18H,2-10,13,15H2,1H3,(H,27,31)
InChIKeyQFBGZWGHWSKYJM-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.46
Rot. Bonds8

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

N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[3-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 156735223) has the molecular formula C23H31F2N5O2S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[3-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[3-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID156735223
Molecular FormulaC23H31F2N5O2S
Molecular Weight479.60 g/mol
Exact Mass479.22
IUPAC NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[3-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCOCCC1CCCN(C2CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC2)C1
InChIInChI=1S/C23H31F2N5O2S/c1-32-10-6-16-3-2-7-30(15-16)18-4-8-29(9-5-18)23-28-14-21(33-23)22(31)27-13-20-19(25)11-17(24)12-26-20/h11-12,14,16,18H,2-10,13,15H2,1H3,(H,27,31)
InChIKeyQFBGZWGHWSKYJM-UHFFFAOYSA-N
XLogP3.46
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[3-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[3-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 156735223) is N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[3-(2-methoxyethyl)piperidin-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-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[3-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is COCCC1CCCN(C2CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC2)C1.
What is the InChIKey of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[3-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is QFBGZWGHWSKYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2N5O2S/c1-32-10-6-16-3-2-7-30(15-16)18-4-8-29(9-5-18)23-28-14-21(33-23)22(31)27-13-20-19(25)11-17(24)12-26-20/h11-12,14,16,18H,2-10,13,15H2,1H3,(H,27,31).
What are the key properties of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[3-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[3-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-[3-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).