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

C12H21N3OS — CID 113267212

IUPAC3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCCc1cnc(C(C)NC(=O)C(C)(C)CN)s1
InChIInChI=1S/C12H21N3OS/c1-5-9-6-14-10(17-9)8(2)15-11(16)12(3,4)7-13/h6,8H,5,7,13H2,1-4H3,(H,15,16)
InChIKeySKEWOGVXXBSJJI-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.87
Rot. Bonds5

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

3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 113267212) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID113267212
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCCc1cnc(C(C)NC(=O)C(C)(C)CN)s1
InChIInChI=1S/C12H21N3OS/c1-5-9-6-14-10(17-9)8(2)15-11(16)12(3,4)7-13/h6,8H,5,7,13H2,1-4H3,(H,15,16)
InChIKeySKEWOGVXXBSJJI-UHFFFAOYSA-N
XLogP1.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
CID 103833289
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111796900
ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate
CID 115679802
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 103814857
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea
CID 111796850
5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 115740766
1-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115734764
2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide
CID 113387252
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
CID 115679819
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid
CID 113364270

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide (CID 113267212) is 3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide is CCc1cnc(C(C)NC(=O)C(C)(C)CN)s1.
What is the InChIKey of 3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is SKEWOGVXXBSJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-9-6-14-10(17-9)8(2)15-11(16)12(3,4)7-13/h6,8H,5,7,13H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide?
3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 255.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113267212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).