[3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate

C11H17N3O3S — CID 88775732

IUPAC[3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(C(N)=O)c1csc(N)n1
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)9(16)17-4-6(8(12)15)7-5-18-10(13)14-7/h5-6H,4H2,1-3H3,(H2,12,15)(H2,13,14)
InChIKeyXNNMAEDUHFYHJM-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.88
Rot. Bonds4

About [3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate

[3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate (PubChem CID 88775732) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is [3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate
PubChem CID88775732
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name[3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(C(N)=O)c1csc(N)n1
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)9(16)17-4-6(8(12)15)7-5-18-10(13)14-7/h5-6H,4H2,1-3H3,(H2,12,15)(H2,13,14)
InChIKeyXNNMAEDUHFYHJM-UHFFFAOYSA-N
XLogP0.88
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate
CID 174643774
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid
CID 13490301
2-(2-amino-1,3-thiazol-4-yl)-3-(2-oxoethylideneamino)oxypropanoic acid
CID 54442886
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-amine
CID 87544194
1-bromo-3-methylbutan-2-one;4-propan-2-yl-1,3-thiazol-2-amine
CID 87581796
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
4-(1-aminopropyl)-1,3-thiazol-2-amine
CID 82415862
[2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxyacetyl]oxymethyl 2,2-dimethylpropanoate
CID 173367453
[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
methyl 2-(2-tert-butyl-1,3-thiazol-4-yl)butanoate
CID 116891437
4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
CID 130517444
4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 58125052

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate?
The IUPAC name of [3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate (CID 88775732) is [3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC(C(N)=O)c1csc(N)n1.
What is the InChIKey of [3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate?
The InChIKey is XNNMAEDUHFYHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-11(2,3)9(16)17-4-6(8(12)15)7-5-18-10(13)14-7/h5-6H,4H2,1-3H3,(H2,12,15)(H2,13,14).
What are the key properties of [3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate?
[3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate has a molecular weight of 271.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 88775732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).