2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole

C20H21FN4S — CID 92553706

IUPAC2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole
SMILESCc1cc(-c2nccs2)nc(C2CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H21FN4S/c1-14-12-18(20-22-8-11-26-20)24-19(23-14)16-6-9-25(10-7-16)13-15-2-4-17(21)5-3-15/h2-5,8,11-12,16H,6-7,9-10,13H2,1H3
InChIKeyKSHCNKCGRROBKZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.43
Rot. Bonds4

About 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole

2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole (PubChem CID 92553706) has the molecular formula C20H21FN4S and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole
PubChem CID92553706
Molecular FormulaC20H21FN4S
Molecular Weight368.48 g/mol
Exact Mass368.15
IUPAC Name2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole
SMILESCc1cc(-c2nccs2)nc(C2CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H21FN4S/c1-14-12-18(20-22-8-11-26-20)24-19(23-14)16-6-9-25(10-7-16)13-15-2-4-17(21)5-3-15/h2-5,8,11-12,16H,6-7,9-10,13H2,1H3
InChIKeyKSHCNKCGRROBKZ-UHFFFAOYSA-N
XLogP4.43
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine
CID 124968077
5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099660
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
CID 95829818
(2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129474275
N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 110100416
1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine
CID 1488673
4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 16669618
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine
CID 110096160
2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92621455
1-(4,6-dimethylpyrimidin-2-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 78845397

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole (CID 92553706) is 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole is Cc1cc(-c2nccs2)nc(C2CCN(Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole?
The InChIKey is KSHCNKCGRROBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4S/c1-14-12-18(20-22-8-11-26-20)24-19(23-14)16-6-9-25(10-7-16)13-15-2-4-17(21)5-3-15/h2-5,8,11-12,16H,6-7,9-10,13H2,1H3.
What are the key properties of 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole?
2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole has a molecular weight of 368.48 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 92553706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).