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

C10H10N2S — CID 67137210

IUPAC1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine
SMILESC=CC(N)c1nc2ccccc2s1
InChIInChI=1S/C10H10N2S/c1-2-7(11)10-12-8-5-3-4-6-9(8)13-10/h2-7H,1,11H2
InChIKeyDXJKBDHVPPIGPE-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.48
Rot. Bonds2

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

1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine (PubChem CID 67137210) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine
PubChem CID67137210
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine
SMILESC=CC(N)c1nc2ccccc2s1
InChIInChI=1S/C10H10N2S/c1-2-7(11)10-12-8-5-3-4-6-9(8)13-10/h2-7H,1,11H2
InChIKeyDXJKBDHVPPIGPE-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-1-(1,3-benzothiazol-2-yl)-2-methylbut-3-en-1-ol
CID 10856987
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
1-(1,3-benzothiazol-2-yl)-3,3,3-trifluoropropan-1-amine
CID 82384630
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465
dipropan-2-yl 2-(1,3-benzothiazol-2-yl)propanedioate
CID 44721597
2-[1-[2-(1,3-benzothiazol-2-yl)propyldisulfanyl]propan-2-yl]-1,3-benzothiazole
CID 139653481
2-ethenyl-1,3-benzothiazole;hydroiodide
CID 173330780
(2R,3R)-3-(1,3-benzothiazol-2-yl)butan-2-ol
CID 95030552
1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine
CID 43314623
1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)ethanamine
CID 43314644
(1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanol
CID 9267878
2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride
CID 22284169

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine (CID 67137210) is 1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine is C=CC(N)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine?
The InChIKey is DXJKBDHVPPIGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-7(11)10-12-8-5-3-4-6-9(8)13-10/h2-7H,1,11H2.
What are the key properties of 1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine?
1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine has a molecular weight of 190.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 67137210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).