2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

C24H28N4OS — CID 52831110

IUPAC2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N(C)C3CCN(c4ccccn4)CC3)s2)c(C)c1
InChIInChI=1S/C24H28N4OS/c1-16-8-9-20(17(2)15-16)23-26-18(3)22(30-23)24(29)27(4)19-10-13-28(14-11-19)21-7-5-6-12-25-21/h5-9,12,15,19H,10-11,13-14H2,1-4H3
InChIKeyQSPUHLPKQIKHHD-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.87
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 52831110) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID52831110
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N(C)C3CCN(c4ccccn4)CC3)s2)c(C)c1
InChIInChI=1S/C24H28N4OS/c1-16-8-9-20(17(2)15-16)23-26-18(3)22(30-23)24(29)27(4)19-10-13-28(14-11-19)21-7-5-6-12-25-21/h5-9,12,15,19H,10-11,13-14H2,1-4H3
InChIKeyQSPUHLPKQIKHHD-UHFFFAOYSA-N
XLogP4.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71934858
(3-anilinopyrrolidin-1-yl)-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 56503064
4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
CID 47091378
1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 47085113
3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
CID 47091375
methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate
CID 86867474
(3S)-4-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125150261
N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 124981919
2-(1H-imidazol-2-yl)-N,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)-1,3-thiazole-5-carboxamide
CID 166302452
1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide
CID 71882911
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540320
(2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide
CID 95595640

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (CID 52831110) is 2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)N(C)C3CCN(c4ccccn4)CC3)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is QSPUHLPKQIKHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-16-8-9-20(17(2)15-16)23-26-18(3)22(30-23)24(29)27(4)19-10-13-28(14-11-19)21-7-5-6-12-25-21/h5-9,12,15,19H,10-11,13-14H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N,4-dimethyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 52831110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).