(E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine

C10H10N2S — CID 117281991

IUPAC(E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine
SMILESNC/C=C/c1cccc2cnsc12
InChIInChI=1S/C10H10N2S/c11-6-2-5-8-3-1-4-9-7-12-13-10(8)9/h1-5,7H,6,11H2/b5-2+
InChIKeyVXDBWVHQNZYEAK-GORDUTHDSA-N
MW190.27 g/mol
LogP2.27
Rot. Bonds2

About (E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine

(E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine (PubChem CID 117281991) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine
PubChem CID117281991
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name(E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine
SMILESNC/C=C/c1cccc2cnsc12
InChIInChI=1S/C10H10N2S/c11-6-2-5-8-3-1-4-9-7-12-13-10(8)9/h1-5,7H,6,11H2/b5-2+
InChIKeyVXDBWVHQNZYEAK-GORDUTHDSA-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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Related Compounds

benzo[g][1,2]benzothiazole
CID 12614610
O-[2-(1,2-benzothiazol-7-yl)ethyl]hydroxylamine
CID 117284726
1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine
CID 117292875
[1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine
CID 117368834
(E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine
CID 117277112
3-(1H-benzimidazol-4-yl)prop-2-en-1-amine
CID 169463683
2-(3-aminoprop-1-enyl)aniline
CID 67152713
[3-(1,2-benzothiazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117336159
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201
(E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine
CID 117296994
1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine
CID 105473191
3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
CID 169463183

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine (CID 117281991) is (E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine is NC/C=C/c1cccc2cnsc12.
What is the InChIKey of (E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine?
The InChIKey is VXDBWVHQNZYEAK-GORDUTHDSA-N. The full InChI is InChI=1S/C10H10N2S/c11-6-2-5-8-3-1-4-9-7-12-13-10(8)9/h1-5,7H,6,11H2/b5-2+.
What are the key properties of (E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine?
(E)-3-(1,2-benzothiazol-7-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-(1,2-benzothiazol-7-yl)prop-2-en-1-amine is sourced from PubChem (CID 117281991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).