N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide

C12H18FN3OS — CID 126826356

IUPACN-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(CCF)C2)ns1
InChIInChI=1S/C12H18FN3OS/c1-9-7-11(15-18-9)12(17)14-10-3-2-5-16(8-10)6-4-13/h7,10H,2-6,8H2,1H3,(H,14,17)
InChIKeyPRCAPRILFXYJHG-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.62
Rot. Bonds4

About N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide

N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 126826356) has the molecular formula C12H18FN3OS and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID126826356
Molecular FormulaC12H18FN3OS
Molecular Weight271.36 g/mol
Exact Mass271.12
IUPAC NameN-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(CCF)C2)ns1
InChIInChI=1S/C12H18FN3OS/c1-9-7-11(15-18-9)12(17)14-10-3-2-5-16(8-10)6-4-13/h7,10H,2-6,8H2,1H3,(H,14,17)
InChIKeyPRCAPRILFXYJHG-UHFFFAOYSA-N
XLogP1.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide (CID 126826356) is N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(CCF)C2)ns1.
What is the InChIKey of N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is PRCAPRILFXYJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3OS/c1-9-7-11(15-18-9)12(17)14-10-3-2-5-16(8-10)6-4-13/h7,10H,2-6,8H2,1H3,(H,14,17).
What are the key properties of N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide?
N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 126826356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).