N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide

C15H19N3O2S — CID 47076191

IUPACN-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
SMILESCOc1ccccc1NC(=O)C(C)N(C)Cc1cscn1
InChIInChI=1S/C15H19N3O2S/c1-11(18(2)8-12-9-21-10-16-12)15(19)17-13-6-4-5-7-14(13)20-3/h4-7,9-11H,8H2,1-3H3,(H,17,19)
InChIKeyDWQKALCGEAZAHP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.61
Rot. Bonds6

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

N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide (PubChem CID 47076191) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
PubChem CID47076191
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
SMILESCOc1ccccc1NC(=O)C(C)N(C)Cc1cscn1
InChIInChI=1S/C15H19N3O2S/c1-11(18(2)8-12-9-21-10-16-12)15(19)17-13-6-4-5-7-14(13)20-3/h4-7,9-11H,8H2,1-3H3,(H,17,19)
InChIKeyDWQKALCGEAZAHP-UHFFFAOYSA-N
XLogP2.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 8517845
(2R)-N-(2-methoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434103
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 17494260
(2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
CID 94200145
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
(2R)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045840
(2S)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045836
(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9054255
N-(2-methoxyphenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 46573624
(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 9357067
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 46561666

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide (CID 47076191) is N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide is COc1ccccc1NC(=O)C(C)N(C)Cc1cscn1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide?
The InChIKey is DWQKALCGEAZAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11(18(2)8-12-9-21-10-16-12)15(19)17-13-6-4-5-7-14(13)20-3/h4-7,9-11H,8H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide?
N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide is sourced from PubChem (CID 47076191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).