3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride

C11H20ClN3OS — CID 120501354

IUPAC3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
SMILESCCN(C(=O)C(C)C(C)N)c1nc(C)cs1.Cl
InChIInChI=1S/C11H19N3OS.ClH/c1-5-14(10(15)8(3)9(4)12)11-13-7(2)6-16-11;/h6,8-9H,5,12H2,1-4H3;1H
InChIKeyONXWFCMUYPALNV-UHFFFAOYSA-N
MW277.82 g/mol
LogP2.21
Rot. Bonds4

About 3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride

3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride (PubChem CID 120501354) has the molecular formula C11H20ClN3OS and a molecular weight of 277.82 g/mol. Its IUPAC name is 3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
PubChem CID120501354
Molecular FormulaC11H20ClN3OS
Molecular Weight277.82 g/mol
Exact Mass277.10
IUPAC Name3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
SMILESCCN(C(=O)C(C)C(C)N)c1nc(C)cs1.Cl
InChIInChI=1S/C11H19N3OS.ClH/c1-5-14(10(15)8(3)9(4)12)11-13-7(2)6-16-11;/h6,8-9H,5,12H2,1-4H3;1H
InChIKeyONXWFCMUYPALNV-UHFFFAOYSA-N
XLogP2.21
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119331544
3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 119951862
2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
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3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120611119
3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
CID 120502763
N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 62333948
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 119797595
2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetamide
CID 89133877
ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
CID 62007331
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl-ethylamino]-2-methylpropanoic acid
CID 62853684
N-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride (CID 120501354) is 3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride is CCN(C(=O)C(C)C(C)N)c1nc(C)cs1.Cl.
What is the InChIKey of 3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride?
The InChIKey is ONXWFCMUYPALNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS.ClH/c1-5-14(10(15)8(3)9(4)12)11-13-7(2)6-16-11;/h6,8-9H,5,12H2,1-4H3;1H.
What are the key properties of 3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride?
3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride has a molecular weight of 277.82 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 120501354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).