methyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride

C6H8ClN2O2S- — CID 46863689

IUPACmethyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride
SMILESCOC(=O)Cc1csc(N)n1.[Cl-]
InChIInChI=1S/C6H8N2O2S.ClH/c1-10-5(9)2-4-3-11-6(7)8-4;/h3H,2H2,1H3,(H2,7,8);1H/p-1
InChIKeyDCLJYTHCPIQKNR-UHFFFAOYSA-M
MW207.66 g/mol
LogP-2.56
Rot. Bonds2

About methyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride

methyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride (PubChem CID 46863689) has the molecular formula C6H8ClN2O2S- and a molecular weight of 207.66 g/mol. Its IUPAC name is methyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride.

Molecular Properties

Compound Namemethyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride
PubChem CID46863689
Molecular FormulaC6H8ClN2O2S-
Molecular Weight207.66 g/mol
Exact Mass207.00
IUPAC Namemethyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride
SMILESCOC(=O)Cc1csc(N)n1.[Cl-]
InChIInChI=1S/C6H8N2O2S.ClH/c1-10-5(9)2-4-3-11-6(7)8-4;/h3H,2H2,1H3,(H2,7,8);1H/p-1
InChIKeyDCLJYTHCPIQKNR-UHFFFAOYSA-M
XLogP-2.56
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 5-2.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride?
The IUPAC name of methyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride (CID 46863689) is methyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride.
What is the SMILES notation for methyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride?
The canonical SMILES for methyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride is COC(=O)Cc1csc(N)n1.[Cl-].
What is the InChIKey of methyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride?
The InChIKey is DCLJYTHCPIQKNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O2S.ClH/c1-10-5(9)2-4-3-11-6(7)8-4;/h3H,2H2,1H3,(H2,7,8);1H/p-1.
What are the key properties of methyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride?
methyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride has a molecular weight of 207.66 g/mol, XLogP of -2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-1,3-thiazol-4-yl)acetate chloride is sourced from PubChem (CID 46863689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).