methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate

C5H8N2O2S — CID 19385522

IUPACmethyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1CSC(N)=N1
InChIInChI=1S/C5H8N2O2S/c1-9-4(8)3-2-10-5(6)7-3/h3H,2H2,1H3,(H2,6,7)
InChIKeyKNHIFLCBVMWTLG-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.41
Rot. Bonds1

About methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate

methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 19385522) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID19385522
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Namemethyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1CSC(N)=N1
InChIInChI=1S/C5H8N2O2S/c1-9-4(8)3-2-10-5(6)7-3/h3H,2H2,1H3,(H2,6,7)
InChIKeyKNHIFLCBVMWTLG-UHFFFAOYSA-N
XLogP-0.41
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 19385522) is methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate is COC(=O)C1CSC(N)=N1.
What is the InChIKey of methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is KNHIFLCBVMWTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-9-4(8)3-2-10-5(6)7-3/h3H,2H2,1H3,(H2,6,7).
What are the key properties of methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate?
methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 160.20 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 19385522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).