N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

C22H26N4OS — CID 110411716

IUPACN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCc1ccc(C(CNC(=O)CCc2csc(-c3ccncc3)n2)N(C)C)cc1
InChIInChI=1S/C22H26N4OS/c1-16-4-6-17(7-5-16)20(26(2)3)14-24-21(27)9-8-19-15-28-22(25-19)18-10-12-23-13-11-18/h4-7,10-13,15,20H,8-9,14H2,1-3H3,(H,24,27)
InChIKeyBSEPZXMKLRWBIH-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.87
Rot. Bonds8

About N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110411716) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110411716
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCc1ccc(C(CNC(=O)CCc2csc(-c3ccncc3)n2)N(C)C)cc1
InChIInChI=1S/C22H26N4OS/c1-16-4-6-17(7-5-16)20(26(2)3)14-24-21(27)9-8-19-15-28-22(25-19)18-10-12-23-13-11-18/h4-7,10-13,15,20H,8-9,14H2,1-3H3,(H,24,27)
InChIKeyBSEPZXMKLRWBIH-UHFFFAOYSA-N
XLogP3.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide 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

N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333523
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 43006465
N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110428238
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 40819121
N-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110675542
N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110633537
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (CID 110411716) is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is Cc1ccc(C(CNC(=O)CCc2csc(-c3ccncc3)n2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is BSEPZXMKLRWBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-16-4-6-17(7-5-16)20(26(2)3)14-24-21(27)9-8-19-15-28-22(25-19)18-10-12-23-13-11-18/h4-7,10-13,15,20H,8-9,14H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 394.54 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110411716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).