[2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

C23H24ClFN4OS — CID 159447392

IUPAC[2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2C(C)CCCC2CCc2ncc(Cl)cn2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H24ClFN4OS/c1-14-4-3-5-19(10-11-20-26-12-17(24)13-27-20)29(14)23(30)21-22(31-15(2)28-21)16-6-8-18(25)9-7-16/h6-9,12-14,19H,3-5,10-11H2,1-2H3
InChIKeyLSXVHDQDMSTYOX-UHFFFAOYSA-N
MW458.99 g/mol
LogP5.72
Rot. Bonds5

About [2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

[2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (PubChem CID 159447392) has the molecular formula C23H24ClFN4OS and a molecular weight of 458.99 g/mol. Its IUPAC name is [2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
PubChem CID159447392
Molecular FormulaC23H24ClFN4OS
Molecular Weight458.99 g/mol
Exact Mass458.13
IUPAC Name[2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2C(C)CCCC2CCc2ncc(Cl)cn2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H24ClFN4OS/c1-14-4-3-5-19(10-11-20-26-12-17(24)13-27-20)29(14)23(30)21-22(31-15(2)28-21)16-6-8-18(25)9-7-16/h6-9,12-14,19H,3-5,10-11H2,1-2H3
InChIKeyLSXVHDQDMSTYOX-UHFFFAOYSA-N
XLogP5.72
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.99
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]propanoate
CID 160976133
[(2S)-2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67089896
tert-butyl N-[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]carbamate
CID 141375813
[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67158229
[(2R,3R)-2-[2-(5-ethylpyrimidin-2-yl)ethyl]-5,5-difluoro-3-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 147369883
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(2,3,3-trimethylpiperidin-1-yl)methanone
CID 145079141
(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(3S)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-azabicyclo[4.1.0]heptan-2-yl]methanone
CID 161418573
[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methylcarbamic acid
CID 140553017
3,5-difluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]benzamide
CID 10162424
[(2S)-2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 25167345
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
CID 67157832
[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 71715104

Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (CID 159447392) is [2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is Cc1nc(C(=O)N2C(C)CCCC2CCc2ncc(Cl)cn2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The InChIKey is LSXVHDQDMSTYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4OS/c1-14-4-3-5-19(10-11-20-26-12-17(24)13-27-20)29(14)23(30)21-22(31-15(2)28-21)16-6-8-18(25)9-7-16/h6-9,12-14,19H,3-5,10-11H2,1-2H3.
What are the key properties of [2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
[2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone has a molecular weight of 458.99 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 159447392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).