propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate

C10H14N2O3S — CID 602886

IUPACpropan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate
SMILESCc1c(C(N)=O)sc(N)c1C(=O)OC(C)C
InChIInChI=1S/C10H14N2O3S/c1-4(2)15-10(14)6-5(3)7(8(11)13)16-9(6)12/h4H,12H2,1-3H3,(H2,11,13)
InChIKeyWTYUAPWNBROVGR-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.30
Rot. Bonds3

About propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate

propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate (PubChem CID 602886) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate
PubChem CID602886
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namepropan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate
SMILESCc1c(C(N)=O)sc(N)c1C(=O)OC(C)C
InChIInChI=1S/C10H14N2O3S/c1-4(2)15-10(14)6-5(3)7(8(11)13)16-9(6)12/h4H,12H2,1-3H3,(H2,11,13)
InChIKeyWTYUAPWNBROVGR-UHFFFAOYSA-N
XLogP1.30
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate?
The IUPAC name of propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate (CID 602886) is propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate is Cc1c(C(N)=O)sc(N)c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate?
The InChIKey is WTYUAPWNBROVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-4(2)15-10(14)6-5(3)7(8(11)13)16-9(6)12/h4H,12H2,1-3H3,(H2,11,13).
What are the key properties of propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate?
propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 602886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).