ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate

C11H17N3O3S — CID 106279442

IUPACethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NCC(C)(C)C(N)=O
InChIInChI=1S/C11H17N3O3S/c1-4-17-9(15)7-8(18-6-14-7)13-5-11(2,3)10(12)16/h6,13H,4-5H2,1-3H3,(H2,12,16)
InChIKeyWUFPHJVHURBHKI-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.24
Rot. Bonds6

About ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate

ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 106279442) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID106279442
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Nameethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NCC(C)(C)C(N)=O
InChIInChI=1S/C11H17N3O3S/c1-4-17-9(15)7-8(18-6-14-7)13-5-11(2,3)10(12)16/h6,13H,4-5H2,1-3H3,(H2,12,16)
InChIKeyWUFPHJVHURBHKI-UHFFFAOYSA-N
XLogP1.24
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate
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ethyl 5-benzamido-1,3-thiazole-4-carboxylate
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ethyl 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1,3-thiazole-4-carboxylate
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ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate
CID 103064920
ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate (CID 106279442) is ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1NCC(C)(C)C(N)=O.
What is the InChIKey of ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is WUFPHJVHURBHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-4-17-9(15)7-8(18-6-14-7)13-5-11(2,3)10(12)16/h6,13H,4-5H2,1-3H3,(H2,12,16).
What are the key properties of ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106279442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).