3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide

C11H19N3O2S — CID 114145061

IUPAC3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C11H19N3O2S/c1-11(2,3)8-6-17-10(13-8)14-9(15)7(5-12)16-4/h6-7H,5,12H2,1-4H3,(H,13,14,15)
InChIKeyNBFALXMOFQUJQZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.35
Rot. Bonds4

About 3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide

3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide (PubChem CID 114145061) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide
PubChem CID114145061
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C11H19N3O2S/c1-11(2,3)8-6-17-10(13-8)14-9(15)7(5-12)16-4/h6-7H,5,12H2,1-4H3,(H,13,14,15)
InChIKeyNBFALXMOFQUJQZ-UHFFFAOYSA-N
XLogP1.35
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxypropanamide
CID 106112621
(2S)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide
CID 54960202
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025368
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 59232774
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide
CID 86902839
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide
CID 55121500
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615669
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide (CID 114145061) is 3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide is COC(CN)C(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of 3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide?
The InChIKey is NBFALXMOFQUJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2,3)8-6-17-10(13-8)14-9(15)7(5-12)16-4/h6-7H,5,12H2,1-4H3,(H,13,14,15).
What are the key properties of 3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide?
3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide has a molecular weight of 257.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide is sourced from PubChem (CID 114145061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).