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

C22H24N6O6S2 — CID 70955212

IUPACN-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C(=O)NS(C)(=O)=O)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C22H24N6O6S2/c1-33-18-12-14(19(29)27-36(2,31)32)4-5-16(18)25-20(30)17-13-35-22(26-17)28-10-6-15(7-11-28)34-21-23-8-3-9-24-21/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyGRLDXSFRTOGVQM-UHFFFAOYSA-N
MW532.60 g/mol
LogP1.93
Rot. Bonds8

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

N-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 70955212) has the molecular formula C22H24N6O6S2 and a molecular weight of 532.60 g/mol. Its IUPAC name is N-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID70955212
Molecular FormulaC22H24N6O6S2
Molecular Weight532.60 g/mol
Exact Mass532.12
IUPAC NameN-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C(=O)NS(C)(=O)=O)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C22H24N6O6S2/c1-33-18-12-14(19(29)27-36(2,31)32)4-5-16(18)25-20(30)17-13-35-22(26-17)28-10-6-15(7-11-28)34-21-23-8-3-9-24-21/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyGRLDXSFRTOGVQM-UHFFFAOYSA-N
XLogP1.93
TPSA152.71 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

4-[[2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carbonyl]amino]-3-(trifluoromethoxy)benzoic acid
CID 67528560
N-[4-ethyl-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 70955440
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-[(2S)-2-ethylpyrrolidin-1-yl]-2-(propylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 70955403
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 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 70845805
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-[1-(4-pyrimidin-2-yloxycyclohexyl)ethenyl]-1,3-thiazole-4-carbonyl]amino]-3-(trifluoromethoxy)benzoic acid
CID 162557215
4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole
CID 70955018
N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide
CID 166294874
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 59332171
N-[4-(chloromethyl)-2-(2-methoxyethylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 67527892

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide (CID 70955212) is N-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide is COc1cc(C(=O)NS(C)(=O)=O)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1.
What is the InChIKey of N-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GRLDXSFRTOGVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O6S2/c1-33-18-12-14(19(29)27-36(2,31)32)4-5-16(18)25-20(30)17-13-35-22(26-17)28-10-6-15(7-11-28)34-21-23-8-3-9-24-21/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H,25,30)(H,27,29).
What are the key properties of N-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide?
N-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 532.60 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70955212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).