N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C22H21F3N4O2S — CID 59580013

IUPACN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3sc(-c4ncccn4)nc3C(F)(F)F)CCCC2)cc1
InChIInChI=1S/C22H21F3N4O2S/c1-31-15-7-5-14(6-8-15)21(9-2-3-10-21)13-28-19(30)16-17(22(23,24)25)29-20(32-16)18-26-11-4-12-27-18/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,28,30)
InChIKeyGKIPCTXRQOFKQB-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.87
Rot. Bonds6

About N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 59580013) has the molecular formula C22H21F3N4O2S and a molecular weight of 462.50 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID59580013
Molecular FormulaC22H21F3N4O2S
Molecular Weight462.50 g/mol
Exact Mass462.13
IUPAC NameN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3sc(-c4ncccn4)nc3C(F)(F)F)CCCC2)cc1
InChIInChI=1S/C22H21F3N4O2S/c1-31-15-7-5-14(6-8-15)21(9-2-3-10-21)13-28-19(30)16-17(22(23,24)25)29-20(32-16)18-26-11-4-12-27-18/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,28,30)
InChIKeyGKIPCTXRQOFKQB-UHFFFAOYSA-N
XLogP4.87
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42265583
2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 143748412
3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide
CID 47921805
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74244555
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 157016880
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
4-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580001
2-(1,1-dihydroxythiazinan-2-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 68767827
3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265617
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 74240891
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 59580013) is N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is COc1ccc(C2(CNC(=O)c3sc(-c4ncccn4)nc3C(F)(F)F)CCCC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GKIPCTXRQOFKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2S/c1-31-15-7-5-14(6-8-15)21(9-2-3-10-21)13-28-19(30)16-17(22(23,24)25)29-20(32-16)18-26-11-4-12-27-18/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,28,30).
What are the key properties of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59580013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).