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

C25H33F2N5O2S — CID 156735067

IUPAC2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(COCC4CC4)C3)CC2)s1
InChIInChI=1S/C25H33F2N5O2S/c26-19-10-21(27)22(28-11-19)12-29-24(33)23-13-30-25(35-23)31-8-5-20(6-9-31)32-7-1-2-18(14-32)16-34-15-17-3-4-17/h10-11,13,17-18,20H,1-9,12,14-16H2,(H,29,33)
InChIKeyMBJKGPICTNTEBH-UHFFFAOYSA-N
MW505.64 g/mol
LogP3.85
Rot. Bonds9

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

2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 156735067) has the molecular formula C25H33F2N5O2S and a molecular weight of 505.64 g/mol. Its IUPAC name is 2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID156735067
Molecular FormulaC25H33F2N5O2S
Molecular Weight505.64 g/mol
Exact Mass505.23
IUPAC Name2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(COCC4CC4)C3)CC2)s1
InChIInChI=1S/C25H33F2N5O2S/c26-19-10-21(27)22(28-11-19)12-29-24(33)23-13-30-25(35-23)31-8-5-20(6-9-31)32-7-1-2-18(14-32)16-34-15-17-3-4-17/h10-11,13,17-18,20H,1-9,12,14-16H2,(H,29,33)
InChIKeyMBJKGPICTNTEBH-UHFFFAOYSA-N
XLogP3.85
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735109
2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735115
2-[4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735161
2-[4-[3-(cyclobutylmethoxy)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735188
US20240000767, Example 134
CID 156735003
US20240000767, Example 103
CID 156735053
US20240000767, Example 130
CID 156735061
US20240000767, Example 133
CID 156735066
US20240000767, Example 65
CID 156735073
US20240000767, Example 111
CID 156735155
US20240000767, Example 109
CID 156735183
US12540134, Example 127
CID 156735214

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (CID 156735067) is 2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(COCC4CC4)C3)CC2)s1.
What is the InChIKey of 2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MBJKGPICTNTEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2N5O2S/c26-19-10-21(27)22(28-11-19)12-29-24(33)23-13-30-25(35-23)31-8-5-20(6-9-31)32-7-1-2-18(14-32)16-34-15-17-3-4-17/h10-11,13,17-18,20H,1-9,12,14-16H2,(H,29,33).
What are the key properties of 2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 505.64 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(cyclopropylmethoxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).