ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate

C18H17N3O3S — CID 990724

IUPACethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc2sc(C(N)=O)c(N)c2c1-c1ccccc1
InChIInChI=1S/C18H17N3O3S/c1-3-24-18(23)11-9(2)21-17-13(14(19)15(25-17)16(20)22)12(11)10-7-5-4-6-8-10/h4-8H,3,19H2,1-2H3,(H2,20,22)
InChIKeyMFRJAJSGHCTEEQ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.13
Rot. Bonds4

About ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate

ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate (PubChem CID 990724) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate
PubChem CID990724
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Nameethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc2sc(C(N)=O)c(N)c2c1-c1ccccc1
InChIInChI=1S/C18H17N3O3S/c1-3-24-18(23)11-9(2)21-17-13(14(19)15(25-17)16(20)22)12(11)10-7-5-4-6-8-10/h4-8H,3,19H2,1-2H3,(H2,20,22)
InChIKeyMFRJAJSGHCTEEQ-UHFFFAOYSA-N
XLogP3.13
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate (CID 990724) is ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1c(C)nc2sc(C(N)=O)c(N)c2c1-c1ccccc1.
What is the InChIKey of ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is MFRJAJSGHCTEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-3-24-18(23)11-9(2)21-17-13(14(19)15(25-17)16(20)22)12(11)10-7-5-4-6-8-10/h4-8H,3,19H2,1-2H3,(H2,20,22).
What are the key properties of ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate?
ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 355.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 990724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).