4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide

C21H21FN4OS — CID 122196541

IUPAC4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4OS/c22-17-6-4-15(5-7-17)13-16-8-11-26(12-9-16)21(27)25-20-24-19(14-28-20)18-3-1-2-10-23-18/h1-7,10,14,16H,8-9,11-13H2,(H,24,25,27)
InChIKeyKPRMOLIOPCPHSJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.83
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide

4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 122196541) has the molecular formula C21H21FN4OS and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID122196541
Molecular FormulaC21H21FN4OS
Molecular Weight396.49 g/mol
Exact Mass396.14
IUPAC Name4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4OS/c22-17-6-4-15(5-7-17)13-16-8-11-26(12-9-16)21(27)25-20-24-19(14-28-20)18-3-1-2-10-23-18/h1-7,10,14,16H,8-9,11-13H2,(H,24,25,27)
InChIKeyKPRMOLIOPCPHSJ-UHFFFAOYSA-N
XLogP4.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135317
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
N-(1,3-Thiazol-2-yl)pyridin-2-amine 13
CID 5329326
7-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 9996476
6-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10359005
5-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10381720
3-[4-(Pyridin-4-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10403012
3-[4-(Pyridin-3-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10425386
4-(4-Fluorophenyl)-5-(1,5-naphthyridin-2-yl)thiazol-2-amine
CID 11290221
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 11722798

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 122196541) is 4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is KPRMOLIOPCPHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4OS/c22-17-6-4-15(5-7-17)13-16-8-11-26(12-9-16)21(27)25-20-24-19(14-28-20)18-3-1-2-10-23-18/h1-7,10,14,16H,8-9,11-13H2,(H,24,25,27).
What are the key properties of 4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 122196541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).