7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride

C12H23Cl2N3OS — CID 119864882

IUPAC7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride
SMILESCN(Cc1cscn1)C(=O)CCCCCCN.Cl.Cl
InChIInChI=1S/C12H21N3OS.2ClH/c1-15(8-11-9-17-10-14-11)12(16)6-4-2-3-5-7-13;;/h9-10H,2-8,13H2,1H3;2*1H
InChIKeyUJMMSRFQOQDYAY-UHFFFAOYSA-N
MW328.31 g/mol
LogP2.85
Rot. Bonds8

About 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride

7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride (PubChem CID 119864882) has the molecular formula C12H23Cl2N3OS and a molecular weight of 328.31 g/mol. Its IUPAC name is 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride
PubChem CID119864882
Molecular FormulaC12H23Cl2N3OS
Molecular Weight328.31 g/mol
Exact Mass327.09
IUPAC Name7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride
SMILESCN(Cc1cscn1)C(=O)CCCCCCN.Cl.Cl
InChIInChI=1S/C12H21N3OS.2ClH/c1-15(8-11-9-17-10-14-11)12(16)6-4-2-3-5-7-13;;/h9-10H,2-8,13H2,1H3;2*1H
InChIKeyUJMMSRFQOQDYAY-UHFFFAOYSA-N
XLogP2.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107909892
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 81087719
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679458
2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 113308943
7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride
CID 119773733
3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide
CID 113497026
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide;dihydrochloride
CID 119864909

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride (CID 119864882) is 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride is CN(Cc1cscn1)C(=O)CCCCCCN.Cl.Cl.
What is the InChIKey of 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride?
The InChIKey is UJMMSRFQOQDYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS.2ClH/c1-15(8-11-9-17-10-14-11)12(16)6-4-2-3-5-7-13;;/h9-10H,2-8,13H2,1H3;2*1H.
What are the key properties of 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride?
7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride has a molecular weight of 328.31 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride is sourced from PubChem (CID 119864882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).