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

C23H31F2N5OS — CID 156735214

IUPACN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCCC1CCCN(C2CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC2)C1
InChIInChI=1S/C23H31F2N5OS/c1-2-4-16-5-3-8-30(15-16)18-6-9-29(10-7-18)23-28-14-21(32-23)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)
InChIKeyGAAAAVSJTFUHMO-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.23
Rot. Bonds7

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

N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 156735214) 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-propylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID156735214
Molecular FormulaC23H31F2N5OS
Molecular Weight463.60 g/mol
Exact Mass463.22
IUPAC NameN-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCCC1CCCN(C2CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC2)C1
InChIInChI=1S/C23H31F2N5OS/c1-2-4-16-5-3-8-30(15-16)18-6-9-29(10-7-18)23-28-14-21(32-23)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)
InChIKeyGAAAAVSJTFUHMO-UHFFFAOYSA-N
XLogP4.23
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.23
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-propylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 156735214) is N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propylpiperidin-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-propylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is CCCC1CCCN(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-propylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is GAAAAVSJTFUHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2N5OS/c1-2-4-16-5-3-8-30(15-16)18-6-9-29(10-7-18)23-28-14-21(32-23)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-propylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(3-propylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 4.23, 7 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-propylpiperidin-1-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).