methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate

C7H10N2O2S2 — CID 79774327

IUPACmethyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate
SMILESCOC(=O)CSCc1cnc(N)s1
InChIInChI=1S/C7H10N2O2S2/c1-11-6(10)4-12-3-5-2-9-7(8)13-5/h2H,3-4H2,1H3,(H2,8,9)
InChIKeyPFEQHIZYBSNGPF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.13
Rot. Bonds4

About methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate

methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate (PubChem CID 79774327) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate
PubChem CID79774327
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Namemethyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate
SMILESCOC(=O)CSCc1cnc(N)s1
InChIInChI=1S/C7H10N2O2S2/c1-11-6(10)4-12-3-5-2-9-7(8)13-5/h2H,3-4H2,1H3,(H2,8,9)
InChIKeyPFEQHIZYBSNGPF-UHFFFAOYSA-N
XLogP1.13
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-1,3-thiazol-5-yl)acetic acid;methoxymethane
CID 126619372
methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate
CID 120899079
1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine
CID 165350901
methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate
CID 120902032
methyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate
CID 102770260
methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate
CID 63580305
methyl 3-[(2-amino-1,3-thiazol-5-yl)methylamino]-4-methoxy-3-methylbutanoate
CID 120902305
2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide
CID 43840159
tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate
CID 133058846
methyl 2-[[(2R,3S)-3-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-4-oxoazetidin-2-yl]methylsulfanyl]acetate
CID 172969981
5-ethyl-1,3-thiazol-2-amine;thiourea
CID 160637365
5-(2-methoxyethoxymethyl)-1,3-thiazol-2-amine
CID 79775147

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate?
The IUPAC name of methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate (CID 79774327) is methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate?
The canonical SMILES for methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate is COC(=O)CSCc1cnc(N)s1.
What is the InChIKey of methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate?
The InChIKey is PFEQHIZYBSNGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-11-6(10)4-12-3-5-2-9-7(8)13-5/h2H,3-4H2,1H3,(H2,8,9).
What are the key properties of methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate?
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate has a molecular weight of 218.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate is sourced from PubChem (CID 79774327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).