tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate

C10H16N2O2S2 — CID 116686654

IUPACtert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate
SMILESCC(C)(C)OC(=O)CSCc1csc(N)n1
InChIInChI=1S/C10H16N2O2S2/c1-10(2,3)14-8(13)6-15-4-7-5-16-9(11)12-7/h5H,4,6H2,1-3H3,(H2,11,12)
InChIKeyUHTNENVEORTVIS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.30
Rot. Bonds4

About tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate

tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate (PubChem CID 116686654) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate
PubChem CID116686654
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Nametert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate
SMILESCC(C)(C)OC(=O)CSCc1csc(N)n1
InChIInChI=1S/C10H16N2O2S2/c1-10(2,3)14-8(13)6-15-4-7-5-16-9(11)12-7/h5H,4,6H2,1-3H3,(H2,11,12)
InChIKeyUHTNENVEORTVIS-UHFFFAOYSA-N
XLogP2.30
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate?
The IUPAC name of tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate (CID 116686654) is tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate.
What is the SMILES notation for tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate?
The canonical SMILES for tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate is CC(C)(C)OC(=O)CSCc1csc(N)n1.
What is the InChIKey of tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate?
The InChIKey is UHTNENVEORTVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-10(2,3)14-8(13)6-15-4-7-5-16-9(11)12-7/h5H,4,6H2,1-3H3,(H2,11,12).
What are the key properties of tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate?
tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate has a molecular weight of 260.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate is sourced from PubChem (CID 116686654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).