N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide

C25H30N6O3S — CID 70955440

IUPACN-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1cc(CC)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C25H30N6O3S/c1-3-10-26-22(32)19-15-17(4-2)6-7-20(19)29-23(33)21-16-35-25(30-21)31-13-8-18(9-14-31)34-24-27-11-5-12-28-24/h5-7,11-12,15-16,18H,3-4,8-10,13-14H2,1-2H3,(H,26,32)(H,29,33)
InChIKeyFXWZYDOYCUBSMP-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.94
Rot. Bonds9

About N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide

N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 70955440) has the molecular formula C25H30N6O3S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID70955440
Molecular FormulaC25H30N6O3S
Molecular Weight494.62 g/mol
Exact Mass494.21
IUPAC NameN-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1cc(CC)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C25H30N6O3S/c1-3-10-26-22(32)19-15-17(4-2)6-7-20(19)29-23(33)21-16-35-25(30-21)31-13-8-18(9-14-31)34-24-27-11-5-12-28-24/h5-7,11-12,15-16,18H,3-4,8-10,13-14H2,1-2H3,(H,26,32)(H,29,33)
InChIKeyFXWZYDOYCUBSMP-UHFFFAOYSA-N
XLogP3.94
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(2S)-2-ethylpyrrolidin-1-yl]-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 70955403
N-[4-(2-chloroethyl)-2-(propylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 89134004
N-[2-(2-methoxyethylcarbamoyl)-4-[(2S)-2-(methoxymethyl)morpholin-4-yl]phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 70956744
methyl 5-[[methyl(oxolan-2-ylmethyl)amino]methyl]-2-[[2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 70955190
N-[4-[(4-fluoropiperidin-1-yl)methyl]-2-(propylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 70955441
N-[4-(chloromethyl)-2-(2-methoxyethylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 67527892
N-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 70955212
2-[(3S)-3-methoxypyrrolidin-1-yl]-N-[4-[[(2S)-2-methylmorpholin-4-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 70955249
2-[[cyclopropylidene-[2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]amino]-5-[(2,5-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 70869937
4-[[2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carbonyl]amino]-3-(trifluoromethoxy)benzoic acid
CID 67528560
N-[4-(chloromethyl)-2-(3-fluoropropylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 89134020
tert-butyl 3-[4-[[2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carbonyl]amino]-3-(propylcarbamoyl)phenyl]pyrrolidine-1-carboxylate
CID 70955477

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide (CID 70955440) is N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide is CCCNC(=O)c1cc(CC)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1.
What is the InChIKey of N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FXWZYDOYCUBSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3S/c1-3-10-26-22(32)19-15-17(4-2)6-7-20(19)29-23(33)21-16-35-25(30-21)31-13-8-18(9-14-31)34-24-27-11-5-12-28-24/h5-7,11-12,15-16,18H,3-4,8-10,13-14H2,1-2H3,(H,26,32)(H,29,33).
What are the key properties of N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide?
N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 494.62 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70955440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).