methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate

C7H10N2O3S — CID 25220423

IUPACmethyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
SMILESCOCc1nc(N)sc1C(=O)OC
InChIInChI=1S/C7H10N2O3S/c1-11-3-4-5(6(10)12-2)13-7(8)9-4/h3H2,1-2H3,(H2,8,9)
InChIKeyHTAWCRCSPPWHCL-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.66
Rot. Bonds3

About methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate

methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate (PubChem CID 25220423) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
PubChem CID25220423
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Namemethyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
SMILESCOCc1nc(N)sc1C(=O)OC
InChIInChI=1S/C7H10N2O3S/c1-11-3-4-5(6(10)12-2)13-7(8)9-4/h3H2,1-2H3,(H2,8,9)
InChIKeyHTAWCRCSPPWHCL-UHFFFAOYSA-N
XLogP0.66
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate (CID 25220423) is methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate is COCc1nc(N)sc1C(=O)OC.
What is the InChIKey of methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is HTAWCRCSPPWHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-11-3-4-5(6(10)12-2)13-7(8)9-4/h3H2,1-2H3,(H2,8,9).
What are the key properties of methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 202.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 25220423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).