3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide

C11H19N3OS — CID 81087719

IUPAC3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1cscn1
InChIInChI=1S/C11H19N3OS/c1-3-9(5-12)4-11(15)14(2)6-10-7-16-8-13-10/h7-9H,3-6,12H2,1-2H3
InChIKeyBZQOPLDOBNJDJW-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.48
Rot. Bonds6

About 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide

3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide (PubChem CID 81087719) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
PubChem CID81087719
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1cscn1
InChIInChI=1S/C11H19N3OS/c1-3-9(5-12)4-11(15)14(2)6-10-7-16-8-13-10/h7-9H,3-6,12H2,1-2H3
InChIKeyBZQOPLDOBNJDJW-UHFFFAOYSA-N
XLogP1.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide 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

3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide
CID 113497026
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 81079726
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride
CID 119864882
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472
(3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 125444046
3-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-oxobutanoic acid
CID 64896543
2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 113308943
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107909892

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide (CID 81087719) is 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide is CCC(CN)CC(=O)N(C)Cc1cscn1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
The InChIKey is BZQOPLDOBNJDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-9(5-12)4-11(15)14(2)6-10-7-16-8-13-10/h7-9H,3-6,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide has a molecular weight of 241.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide is sourced from PubChem (CID 81087719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).