2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

C16H25FN4OS — CID 175882014

IUPAC2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC(N3CCCC(CCF)C3)CC2)s1
InChIInChI=1S/C16H25FN4OS/c17-6-3-12-2-1-7-21(11-12)13-4-8-20(9-5-13)16-19-10-14(23-16)15(18)22/h10,12-13H,1-9,11H2,(H2,18,22)
InChIKeyFLASPQANNNDPMK-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.28
Rot. Bonds5

About 2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 175882014) has the molecular formula C16H25FN4OS and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID175882014
Molecular FormulaC16H25FN4OS
Molecular Weight340.47 g/mol
Exact Mass340.17
IUPAC Name2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC(N3CCCC(CCF)C3)CC2)s1
InChIInChI=1S/C16H25FN4OS/c17-6-3-12-2-1-7-21(11-12)13-4-8-20(9-5-13)16-19-10-14(23-16)15(18)22/h10,12-13H,1-9,11H2,(H2,18,22)
InChIKeyFLASPQANNNDPMK-UHFFFAOYSA-N
XLogP2.28
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 175882014) is 2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(N2CCC(N3CCCC(CCF)C3)CC2)s1.
What is the InChIKey of 2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is FLASPQANNNDPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4OS/c17-6-3-12-2-1-7-21(11-12)13-4-8-20(9-5-13)16-19-10-14(23-16)15(18)22/h10,12-13H,1-9,11H2,(H2,18,22).
What are the key properties of 2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-fluoroethyl)piperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175882014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).