(E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine

C10H10N2S — CID 117281993

IUPAC(E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc2scnc2c1
InChIInChI=1S/C10H10N2S/c11-5-1-2-8-3-4-10-9(6-8)12-7-13-10/h1-4,6-7H,5,11H2/b2-1+
InChIKeyWKAQUNJCCASPDM-OWOJBTEDSA-N
MW190.27 g/mol
LogP2.27
Rot. Bonds2

About (E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine

(E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine (PubChem CID 117281993) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine
PubChem CID117281993
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name(E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc2scnc2c1
InChIInChI=1S/C10H10N2S/c11-5-1-2-8-3-4-10-9(6-8)12-7-13-10/h1-4,6-7H,5,11H2/b2-1+
InChIKeyWKAQUNJCCASPDM-OWOJBTEDSA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine (CID 117281993) is (E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine is NC/C=C/c1ccc2scnc2c1.
What is the InChIKey of (E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine?
The InChIKey is WKAQUNJCCASPDM-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H10N2S/c11-5-1-2-8-3-4-10-9(6-8)12-7-13-10/h1-4,6-7H,5,11H2/b2-1+.
What are the key properties of (E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine?
(E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine has a molecular weight of 190.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzothiazol-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 117281993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).