3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide

C22H26N4OS — CID 119883855

IUPAC3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide
SMILESCC(C(=O)Nc1cccc(CN(C)Cc2cscn2)c1)C(N)c1ccccc1
InChIInChI=1S/C22H26N4OS/c1-16(21(23)18-8-4-3-5-9-18)22(27)25-19-10-6-7-17(11-19)12-26(2)13-20-14-28-15-24-20/h3-11,14-16,21H,12-13,23H2,1-2H3,(H,25,27)
InChIKeyOZEAUVPLLAVRQB-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.05
Rot. Bonds8

About 3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide

3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide (PubChem CID 119883855) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide
PubChem CID119883855
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide
SMILESCC(C(=O)Nc1cccc(CN(C)Cc2cscn2)c1)C(N)c1ccccc1
InChIInChI=1S/C22H26N4OS/c1-16(21(23)18-8-4-3-5-9-18)22(27)25-19-10-6-7-17(11-19)12-26(2)13-20-14-28-15-24-20/h3-11,14-16,21H,12-13,23H2,1-2H3,(H,25,27)
InChIKeyOZEAUVPLLAVRQB-UHFFFAOYSA-N
XLogP4.05
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
CID 119883865
2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
CID 119883845
N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-4-phenylsulfanylbutanamide
CID 86934519
3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide
CID 26278030
3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119790386
3-amino-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]-3-phenylpropanamide
CID 86813957
N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119032677
3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride
CID 119784239
3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide
CID 119715007
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 54942854
8-chloro-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 155964076

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide (CID 119883855) is 3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide is CC(C(=O)Nc1cccc(CN(C)Cc2cscn2)c1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide?
The InChIKey is OZEAUVPLLAVRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-16(21(23)18-8-4-3-5-9-18)22(27)25-19-10-6-7-17(11-19)12-26(2)13-20-14-28-15-24-20/h3-11,14-16,21H,12-13,23H2,1-2H3,(H,25,27).
What are the key properties of 3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide has a molecular weight of 394.54 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119883855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).