[(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid

C11H10BrN3O2S — CID 18450635

IUPAC[(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid
SMILESNc1ncc(/C=C/CNC(=O)O)c2scc(Br)c12
InChIInChI=1S/C11H10BrN3O2S/c12-7-5-18-9-6(2-1-3-14-11(16)17)4-15-10(13)8(7)9/h1-2,4-5,14H,3H2,(H2,13,15)(H,16,17)/b2-1+
InChIKeyVEFMIRYABWQEMF-OWOJBTEDSA-N
MW328.19 g/mol
LogP2.92
Rot. Bonds3

About [(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid

[(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid (PubChem CID 18450635) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is [(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid.

Molecular Properties

Compound Name[(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid
PubChem CID18450635
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name[(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid
SMILESNc1ncc(/C=C/CNC(=O)O)c2scc(Br)c12
InChIInChI=1S/C11H10BrN3O2S/c12-7-5-18-9-6(2-1-3-14-11(16)17)4-15-10(13)8(7)9/h1-2,4-5,14H,3H2,(H2,13,15)(H,16,17)/b2-1+
InChIKeyVEFMIRYABWQEMF-OWOJBTEDSA-N
XLogP2.92
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid?
The IUPAC name of [(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid (CID 18450635) is [(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid.
What is the SMILES notation for [(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid?
The canonical SMILES for [(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid is Nc1ncc(/C=C/CNC(=O)O)c2scc(Br)c12.
What is the InChIKey of [(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid?
The InChIKey is VEFMIRYABWQEMF-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-7-5-18-9-6(2-1-3-14-11(16)17)4-15-10(13)8(7)9/h1-2,4-5,14H,3H2,(H2,13,15)(H,16,17)/b2-1+.
What are the key properties of [(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid?
[(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid has a molecular weight of 328.19 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamic acid is sourced from PubChem (CID 18450635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).