N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C25H28N4O4S — CID 24675902

IUPACN-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)s2)cc1OC
InChIInChI=1S/C25H28N4O4S/c1-15-22(34-25(27-15)17-8-10-20(32-2)21(14-17)33-3)24(31)28-18-13-16(23(26)30)7-9-19(18)29-11-5-4-6-12-29/h7-10,13-14H,4-6,11-12H2,1-3H3,(H2,26,30)(H,28,31)
InChIKeyBEHBPYUYMLLJDQ-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.48
Rot. Bonds7

About N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24675902) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24675902
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)s2)cc1OC
InChIInChI=1S/C25H28N4O4S/c1-15-22(34-25(27-15)17-8-10-20(32-2)21(14-17)33-3)24(31)28-18-13-16(23(26)30)7-9-19(18)29-11-5-4-6-12-29/h7-10,13-14H,4-6,11-12H2,1-3H3,(H2,26,30)(H,28,31)
InChIKeyBEHBPYUYMLLJDQ-UHFFFAOYSA-N
XLogP4.48
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 18280439
3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
CID 30778979
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26688807
N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 52656409
N-(3-acetamido-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24666779
2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 24655008
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55514974
N-(5-acetamido-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55551115
N-(2,6-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 134044579
3-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55553417
2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42490383

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 24675902) is N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)s2)cc1OC.
What is the InChIKey of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BEHBPYUYMLLJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-15-22(34-25(27-15)17-8-10-20(32-2)21(14-17)33-3)24(31)28-18-13-16(23(26)30)7-9-19(18)29-11-5-4-6-12-29/h7-10,13-14H,4-6,11-12H2,1-3H3,(H2,26,30)(H,28,31).
What are the key properties of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24675902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).