2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate

C13H16N4O3S — CID 83206282

IUPAC2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate
SMILESCc1cc2sc(C(=O)NCCOC(N)=O)c(N)c2c(C)n1
InChIInChI=1S/C13H16N4O3S/c1-6-5-8-9(7(2)17-6)10(14)11(21-8)12(18)16-3-4-20-13(15)19/h5H,3-4,14H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyZHVYKRZPFFESPF-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.32
Rot. Bonds4

About 2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate

2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate (PubChem CID 83206282) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate
PubChem CID83206282
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate
SMILESCc1cc2sc(C(=O)NCCOC(N)=O)c(N)c2c(C)n1
InChIInChI=1S/C13H16N4O3S/c1-6-5-8-9(7(2)17-6)10(14)11(21-8)12(18)16-3-4-20-13(15)19/h5H,3-4,14H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyZHVYKRZPFFESPF-UHFFFAOYSA-N
XLogP1.32
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate (CID 83206282) is 2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate is Cc1cc2sc(C(=O)NCCOC(N)=O)c(N)c2c(C)n1.
What is the InChIKey of 2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate?
The InChIKey is ZHVYKRZPFFESPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-6-5-8-9(7(2)17-6)10(14)11(21-8)12(18)16-3-4-20-13(15)19/h5H,3-4,14H2,1-2H3,(H2,15,19)(H,16,18).
What are the key properties of 2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate?
2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate has a molecular weight of 308.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate is sourced from PubChem (CID 83206282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).