2-prop-2-enyl-1,3-benzothiazol-4-amine

C10H10N2S — CID 67908598

IUPAC2-prop-2-enyl-1,3-benzothiazol-4-amine
SMILESC=CCc1nc2c(N)cccc2s1
InChIInChI=1S/C10H10N2S/c1-2-4-9-12-10-7(11)5-3-6-8(10)13-9/h2-3,5-6H,1,4,11H2
InChIKeySXHOKCYVDINSIB-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.61
Rot. Bonds2

About 2-prop-2-enyl-1,3-benzothiazol-4-amine

2-prop-2-enyl-1,3-benzothiazol-4-amine (PubChem CID 67908598) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-prop-2-enyl-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-prop-2-enyl-1,3-benzothiazol-4-amine
PubChem CID67908598
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name2-prop-2-enyl-1,3-benzothiazol-4-amine
SMILESC=CCc1nc2c(N)cccc2s1
InChIInChI=1S/C10H10N2S/c1-2-4-9-12-10-7(11)5-3-6-8(10)13-9/h2-3,5-6H,1,4,11H2
InChIKeySXHOKCYVDINSIB-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1,3-benzothiazol-4-amine?
The IUPAC name of 2-prop-2-enyl-1,3-benzothiazol-4-amine (CID 67908598) is 2-prop-2-enyl-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-prop-2-enyl-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-prop-2-enyl-1,3-benzothiazol-4-amine is C=CCc1nc2c(N)cccc2s1.
What is the InChIKey of 2-prop-2-enyl-1,3-benzothiazol-4-amine?
The InChIKey is SXHOKCYVDINSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-4-9-12-10-7(11)5-3-6-8(10)13-9/h2-3,5-6H,1,4,11H2.
What are the key properties of 2-prop-2-enyl-1,3-benzothiazol-4-amine?
2-prop-2-enyl-1,3-benzothiazol-4-amine has a molecular weight of 190.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1,3-benzothiazol-4-amine is sourced from PubChem (CID 67908598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).