N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide

C17H21FN4O2S — CID 141468398

IUPACN-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)Nc1ccc(OC2CCCN(CCF)C2)nc1
InChIInChI=1S/C17H21FN4O2S/c1-12-15(11-25-21-12)17(23)20-13-4-5-16(19-9-13)24-14-3-2-7-22(10-14)8-6-18/h4-5,9,11,14H,2-3,6-8,10H2,1H3,(H,20,23)
InChIKeyXJHMMLJATXOPNJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.91
Rot. Bonds6

About N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide

N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 141468398) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID141468398
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC NameN-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)Nc1ccc(OC2CCCN(CCF)C2)nc1
InChIInChI=1S/C17H21FN4O2S/c1-12-15(11-25-21-12)17(23)20-13-4-5-16(19-9-13)24-14-3-2-7-22(10-14)8-6-18/h4-5,9,11,14H,2-3,6-8,10H2,1H3,(H,20,23)
InChIKeyXJHMMLJATXOPNJ-UHFFFAOYSA-N
XLogP2.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide (CID 141468398) is N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)Nc1ccc(OC2CCCN(CCF)C2)nc1.
What is the InChIKey of N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is XJHMMLJATXOPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-12-15(11-25-21-12)17(23)20-13-4-5-16(19-9-13)24-14-3-2-7-22(10-14)8-6-18/h4-5,9,11,14H,2-3,6-8,10H2,1H3,(H,20,23).
What are the key properties of N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide?
N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(2-fluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 141468398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).