3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide

C11H19N3OS — CID 103814857

IUPAC3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCCc1cnc(CNC(=O)C(C)(C)CN)s1
InChIInChI=1S/C11H19N3OS/c1-4-8-5-13-9(16-8)6-14-10(15)11(2,3)7-12/h5H,4,6-7,12H2,1-3H3,(H,14,15)
InChIKeyPOKAOYUFQCZQHR-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.31
Rot. Bonds5

About 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide

3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 103814857) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID103814857
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCCc1cnc(CNC(=O)C(C)(C)CN)s1
InChIInChI=1S/C11H19N3OS/c1-4-8-5-13-9(16-8)6-14-10(15)11(2,3)7-12/h5H,4,6-7,12H2,1-3H3,(H,14,15)
InChIKeyPOKAOYUFQCZQHR-UHFFFAOYSA-N
XLogP1.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methoxy-2-methylpropanamide
CID 103709224
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597319
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119727869
2-amino-N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]acetamide
CID 104872602
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate
CID 113245875
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703175
3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 113267212
3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]-3-methylbutanoic acid
CID 114128736
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113267621

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide (CID 103814857) is 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide is CCc1cnc(CNC(=O)C(C)(C)CN)s1.
What is the InChIKey of 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is POKAOYUFQCZQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-8-5-13-9(16-8)6-14-10(15)11(2,3)7-12/h5H,4,6-7,12H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 103814857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).