methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate

C9H8N2O2S2 — CID 53271123

IUPACmethyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1ccsc1
InChIInChI=1S/C9H8N2O2S2/c1-13-8(12)6-7(15-9(10)11-6)5-2-3-14-4-5/h2-4H,1H3,(H2,10,11)
InChIKeyMBHWJIDNLVSKOQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.24
Rot. Bonds2

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

methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 53271123) has the molecular formula C9H8N2O2S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
PubChem CID53271123
Molecular FormulaC9H8N2O2S2
Molecular Weight240.31 g/mol
Exact Mass240.00
IUPAC Namemethyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1ccsc1
InChIInChI=1S/C9H8N2O2S2/c1-13-8(12)6-7(15-9(10)11-6)5-2-3-14-4-5/h2-4H,1H3,(H2,10,11)
InChIKeyMBHWJIDNLVSKOQ-UHFFFAOYSA-N
XLogP2.24
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate (CID 53271123) is methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1-c1ccsc1.
What is the InChIKey of methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is MBHWJIDNLVSKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S2/c1-13-8(12)6-7(15-9(10)11-6)5-2-3-14-4-5/h2-4H,1H3,(H2,10,11).
What are the key properties of methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 240.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53271123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).