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

C23H31F2N5OS — CID 156735053

IUPACN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)C1CCCN(C2CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC2)C1
InChIInChI=1S/C23H31F2N5OS/c1-15(2)16-4-3-7-30(14-16)18-5-8-29(9-6-18)23-28-13-21(32-23)22(31)27-12-20-19(25)10-17(24)11-26-20/h10-11,13,15-16,18H,3-9,12,14H2,1-2H3,(H,27,31)
InChIKeyQRSWMDSTVFUENC-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.08
Rot. Bonds6

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

N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 156735053) 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]-2-[4-(3-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID156735053
Molecular FormulaC23H31F2N5OS
Molecular Weight463.60 g/mol
Exact Mass463.22
IUPAC NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)C1CCCN(C2CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC2)C1
InChIInChI=1S/C23H31F2N5OS/c1-15(2)16-4-3-7-30(14-16)18-5-8-29(9-6-18)23-28-13-21(32-23)22(31)27-12-20-19(25)10-17(24)11-26-20/h10-11,13,15-16,18H,3-9,12,14H2,1-2H3,(H,27,31)
InChIKeyQRSWMDSTVFUENC-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(2-aminoethyl)-5-[2-[[4-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980473
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
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 156735204
US20240000767, Example 134
CID 156735003
US20240000767, Example 130
CID 156735061
US20240000767, Example 133
CID 156735066
US20240000767, Example 69
CID 156735067
US20240000767, Example 65
CID 156735073
US20240000767, Example 111
CID 156735155

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 156735053) is N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propan-2-ylpiperidin-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-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is CC(C)C1CCCN(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-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is QRSWMDSTVFUENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2N5OS/c1-15(2)16-4-3-7-30(14-16)18-5-8-29(9-6-18)23-28-13-21(32-23)22(31)27-12-20-19(25)10-17(24)11-26-20/h10-11,13,15-16,18H,3-9,12,14H2,1-2H3,(H,27,31).
What are the key properties of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 4.08, 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-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).