(5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate

C10H9N3O3S — CID 20550053

IUPAC(5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)Oc2nc[nH]c2C(N)=O)s1
InChIInChI=1S/C10H9N3O3S/c1-5-2-3-6(17-5)10(15)16-9-7(8(11)14)12-4-13-9/h2-4H,1H3,(H2,11,14)(H,12,13)
InChIKeyDLZKLRUQZWOBJE-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.10
Rot. Bonds3

About (5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate

(5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate (PubChem CID 20550053) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is (5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate
PubChem CID20550053
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name(5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)Oc2nc[nH]c2C(N)=O)s1
InChIInChI=1S/C10H9N3O3S/c1-5-2-3-6(17-5)10(15)16-9-7(8(11)14)12-4-13-9/h2-4H,1H3,(H2,11,14)(H,12,13)
InChIKeyDLZKLRUQZWOBJE-UHFFFAOYSA-N
XLogP1.10
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate?
The IUPAC name of (5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate (CID 20550053) is (5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate.
What is the SMILES notation for (5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate?
The canonical SMILES for (5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)Oc2nc[nH]c2C(N)=O)s1.
What is the InChIKey of (5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate?
The InChIKey is DLZKLRUQZWOBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-5-2-3-6(17-5)10(15)16-9-7(8(11)14)12-4-13-9/h2-4H,1H3,(H2,11,14)(H,12,13).
What are the key properties of (5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate?
(5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate has a molecular weight of 251.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 20550053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).