3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride

C11H20ClN3OS — CID 115592141

IUPAC3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride
SMILESCCc1nc(CNCC(C)(C)C(N)=O)cs1.Cl
InChIInChI=1S/C11H19N3OS.ClH/c1-4-9-14-8(6-16-9)5-13-7-11(2,3)10(12)15;/h6,13H,4-5,7H2,1-3H3,(H2,12,15);1H
InChIKeyAFLXYEWVERKNCR-UHFFFAOYSA-N
MW277.82 g/mol
LogP1.73
Rot. Bonds6

About 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride

3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 115592141) has the molecular formula C11H20ClN3OS and a molecular weight of 277.82 g/mol. Its IUPAC name is 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride
PubChem CID115592141
Molecular FormulaC11H20ClN3OS
Molecular Weight277.82 g/mol
Exact Mass277.10
IUPAC Name3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride
SMILESCCc1nc(CNCC(C)(C)C(N)=O)cs1.Cl
InChIInChI=1S/C11H19N3OS.ClH/c1-4-9-14-8(6-16-9)5-13-7-11(2,3)10(12)15;/h6,13H,4-5,7H2,1-3H3,(H2,12,15);1H
InChIKeyAFLXYEWVERKNCR-UHFFFAOYSA-N
XLogP1.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-amino-2,2-dimethyl-3-oxopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 106278446
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine
CID 102609934
5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897555
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid
CID 79789614
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2,3-trimethylbutanoic acid
CID 65265310
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 115592463
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 115603266
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226330
N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115748996
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol
CID 115866596

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride (CID 115592141) is 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride is CCc1nc(CNCC(C)(C)C(N)=O)cs1.Cl.
What is the InChIKey of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is AFLXYEWVERKNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS.ClH/c1-4-9-14-8(6-16-9)5-13-7-11(2,3)10(12)15;/h6,13H,4-5,7H2,1-3H3,(H2,12,15);1H.
What are the key properties of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride?
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 277.82 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 115592141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).