2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride

C13H25Cl2N3OS — CID 119881785

IUPAC2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride
SMILESCCCC(N)C(=O)N(C)C(C)c1sc(C)nc1C.Cl.Cl
InChIInChI=1S/C13H23N3OS.2ClH/c1-6-7-11(14)13(17)16(5)9(3)12-8(2)15-10(4)18-12;;/h9,11H,6-7,14H2,1-5H3;2*1H
InChIKeyZEKFLABAIZWSPE-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.25
Rot. Bonds5

About 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride

2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride (PubChem CID 119881785) has the molecular formula C13H25Cl2N3OS and a molecular weight of 342.34 g/mol. Its IUPAC name is 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride
PubChem CID119881785
Molecular FormulaC13H25Cl2N3OS
Molecular Weight342.34 g/mol
Exact Mass341.11
IUPAC Name2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride
SMILESCCCC(N)C(=O)N(C)C(C)c1sc(C)nc1C.Cl.Cl
InChIInChI=1S/C13H23N3OS.2ClH/c1-6-7-11(14)13(17)16(5)9(3)12-8(2)15-10(4)18-12;;/h9,11H,6-7,14H2,1-5H3;2*1H
InChIKeyZEKFLABAIZWSPE-UHFFFAOYSA-N
XLogP3.25
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119881810
2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylacetamide
CID 119881804
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide;dihydrochloride
CID 119881817
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
CID 65054987
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 19805509
1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317162
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-3-methylbutanoic acid
CID 110838629
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976019
(2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide
CID 107568254
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
CID 54870533
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride (CID 119881785) is 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride is CCCC(N)C(=O)N(C)C(C)c1sc(C)nc1C.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride?
The InChIKey is ZEKFLABAIZWSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS.2ClH/c1-6-7-11(14)13(17)16(5)9(3)12-8(2)15-10(4)18-12;;/h9,11H,6-7,14H2,1-5H3;2*1H.
What are the key properties of 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride?
2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride has a molecular weight of 342.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride is sourced from PubChem (CID 119881785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).