N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C20H21N3O3S — CID 134053732

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2sc(-c3ccccn3)nc2C)c(OC)c1
InChIInChI=1S/C20H21N3O3S/c1-12(15-9-8-14(25-3)11-17(15)26-4)22-19(24)18-13(2)23-20(27-18)16-7-5-6-10-21-16/h5-12H,1-4H3,(H,22,24)
InChIKeyVZDGESAUZPRLHQ-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.02
Rot. Bonds6

About N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 134053732) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID134053732
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2sc(-c3ccccn3)nc2C)c(OC)c1
InChIInChI=1S/C20H21N3O3S/c1-12(15-9-8-14(25-3)11-17(15)26-4)22-19(24)18-13(2)23-20(27-18)16-7-5-6-10-21-16/h5-12H,1-4H3,(H,22,24)
InChIKeyVZDGESAUZPRLHQ-UHFFFAOYSA-N
XLogP4.02
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 51950170
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 28560675
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 18124194
N-(3-acetamido-4-methoxyphenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 33308450
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137180
N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide
CID 51128012
N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 55405847
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 134053639
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 94588634
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047661
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9457265

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 134053732) is N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is COc1ccc(C(C)NC(=O)c2sc(-c3ccccn3)nc2C)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VZDGESAUZPRLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-12(15-9-8-14(25-3)11-17(15)26-4)22-19(24)18-13(2)23-20(27-18)16-7-5-6-10-21-16/h5-12H,1-4H3,(H,22,24).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134053732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).