N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C25H26N6O3S — CID 4990009

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(C3CCN(C(=O)c4c(-c5ccccc5)noc4C)CC3)n2)n(C)n1
InChIInChI=1S/C25H26N6O3S/c1-15-13-20(30(3)28-15)27-23(32)19-14-35-24(26-19)18-9-11-31(12-10-18)25(33)21-16(2)34-29-22(21)17-7-5-4-6-8-17/h4-8,13-14,18H,9-12H2,1-3H3,(H,27,32)
InChIKeyFRWWRZYDDGAYOI-UHFFFAOYSA-N
MW490.59 g/mol
LogP4.42
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 4990009) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID4990009
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(C3CCN(C(=O)c4c(-c5ccccc5)noc4C)CC3)n2)n(C)n1
InChIInChI=1S/C25H26N6O3S/c1-15-13-20(30(3)28-15)27-23(32)19-14-35-24(26-19)18-9-11-31(12-10-18)25(33)21-16(2)34-29-22(21)17-7-5-4-6-8-17/h4-8,13-14,18H,9-12H2,1-3H3,(H,27,32)
InChIKeyFRWWRZYDDGAYOI-UHFFFAOYSA-N
XLogP4.42
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 3856776
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 4999773
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
CID 3866503
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
CID 3431250
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide
CID 3828876
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methanone
CID 3821424
ethyl 1-[2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
CID 3849184
propan-2-yl 1-[2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 3438266
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027
[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-(5-nitro-1H-pyrazol-3-yl)methanone
CID 135530381
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118793666
2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3801039

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 4990009) is N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2csc(C3CCN(C(=O)c4c(-c5ccccc5)noc4C)CC3)n2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is FRWWRZYDDGAYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-15-13-20(30(3)28-15)27-23(32)19-14-35-24(26-19)18-9-11-31(12-10-18)25(33)21-16(2)34-29-22(21)17-7-5-4-6-8-17/h4-8,13-14,18H,9-12H2,1-3H3,(H,27,32).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4990009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).