N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide

C20H21N3OS — CID 2240018

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C20H21N3OS/c1-14-7-6-8-15(2)19(14)21-13-18(24)23-20-22-12-17(25-20)11-16-9-4-3-5-10-16/h3-10,12,21H,11,13H2,1-2H3,(H,22,23,24)
InChIKeyCROJYQUKPIIQFX-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.40
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide (PubChem CID 2240018) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
PubChem CID2240018
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C20H21N3OS/c1-14-7-6-8-15(2)19(14)21-13-18(24)23-20-22-12-17(25-20)11-16-9-4-3-5-10-16/h3-10,12,21H,11,13H2,1-2H3,(H,22,23,24)
InChIKeyCROJYQUKPIIQFX-UHFFFAOYSA-N
XLogP4.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 23760784
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylanilino)acetamide
CID 7454424
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide
CID 51111804
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylanilino)acetamide
CID 7454401
4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 120559194
N-(5-benzyl-1,3-thiazol-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 17459661
2-[2-[(5-benzyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 31484325
N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 7454421
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyanilino)acetamide
CID 4915065
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 18836083

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide (CID 2240018) is N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide is Cc1cccc(C)c1NCC(=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide?
The InChIKey is CROJYQUKPIIQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-7-6-8-15(2)19(14)21-13-18(24)23-20-22-12-17(25-20)11-16-9-4-3-5-10-16/h3-10,12,21H,11,13H2,1-2H3,(H,22,23,24).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide has a molecular weight of 351.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide is sourced from PubChem (CID 2240018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).