N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide

C21H23N3OS — CID 86855956

IUPACN-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide
SMILESCc1nc(CN(C)CC(=O)N(Cc2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C21H23N3OS/c1-17-22-19(16-26-17)14-23(2)15-21(25)24(20-11-7-4-8-12-20)13-18-9-5-3-6-10-18/h3-12,16H,13-15H2,1-2H3
InChIKeyMIPTVCRJZLHVHT-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.12
Rot. Bonds7

About N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide

N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide (PubChem CID 86855956) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide
PubChem CID86855956
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide
SMILESCc1nc(CN(C)CC(=O)N(Cc2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C21H23N3OS/c1-17-22-19(16-26-17)14-23(2)15-21(25)24(20-11-7-4-8-12-20)13-18-9-5-3-6-10-18/h3-12,16H,13-15H2,1-2H3
InChIKeyMIPTVCRJZLHVHT-UHFFFAOYSA-N
XLogP4.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855941
2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 134045987
N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 18209419
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327946
N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide
CID 60617067
N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940536
3-(3-fluorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 86992303
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 62044439
2-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]benzoic acid
CID 104548760
N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide
CID 23507484
1-(3-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050486
N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855976

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide?
The IUPAC name of N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide (CID 86855956) is N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide is Cc1nc(CN(C)CC(=O)N(Cc2ccccc2)c2ccccc2)cs1.
What is the InChIKey of N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide?
The InChIKey is MIPTVCRJZLHVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-17-22-19(16-26-17)14-23(2)15-21(25)24(20-11-7-4-8-12-20)13-18-9-5-3-6-10-18/h3-12,16H,13-15H2,1-2H3.
What are the key properties of N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide?
N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide has a molecular weight of 365.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide is sourced from PubChem (CID 86855956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).