2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid

C12H15N3O4S — CID 67547103

IUPAC2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid
SMILESNCCN(CCc1ccc(O)c2[nH]c(=O)sc12)C(=O)O
InChIInChI=1S/C12H15N3O4S/c13-4-6-15(12(18)19)5-3-7-1-2-8(16)9-10(7)20-11(17)14-9/h1-2,16H,3-6,13H2,(H,14,17)(H,18,19)
InChIKeySRCZQTPAWAXOII-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.78
Rot. Bonds5

About 2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid

2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid (PubChem CID 67547103) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid
PubChem CID67547103
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid
SMILESNCCN(CCc1ccc(O)c2[nH]c(=O)sc12)C(=O)O
InChIInChI=1S/C12H15N3O4S/c13-4-6-15(12(18)19)5-3-7-1-2-8(16)9-10(7)20-11(17)14-9/h1-2,16H,3-6,13H2,(H,14,17)(H,18,19)
InChIKeySRCZQTPAWAXOII-UHFFFAOYSA-N
XLogP0.78
TPSA119.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid?
The IUPAC name of 2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid (CID 67547103) is 2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid.
What is the SMILES notation for 2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid?
The canonical SMILES for 2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid is NCCN(CCc1ccc(O)c2[nH]c(=O)sc12)C(=O)O.
What is the InChIKey of 2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid?
The InChIKey is SRCZQTPAWAXOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c13-4-6-15(12(18)19)5-3-7-1-2-8(16)9-10(7)20-11(17)14-9/h1-2,16H,3-6,13H2,(H,14,17)(H,18,19).
What are the key properties of 2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid?
2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid has a molecular weight of 297.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamic acid is sourced from PubChem (CID 67547103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).