6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C11H16N2S — CID 130557486

IUPAC6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESC=CCNc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C11H16N2S/c1-3-6-12-11-13-9-5-4-8(2)7-10(9)14-11/h3,8H,1,4-7H2,2H3,(H,12,13)
InChIKeyFUSHJNKGZMQUED-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.87
Rot. Bonds3

About 6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 130557486) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID130557486
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESC=CCNc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C11H16N2S/c1-3-6-12-11-13-9-5-4-8(2)7-10(9)14-11/h3,8H,1,4-7H2,2H3,(H,12,13)
InChIKeyFUSHJNKGZMQUED-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 130557486) is 6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is C=CCNc1nc2c(s1)CC(C)CC2.
What is the InChIKey of 6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is FUSHJNKGZMQUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-3-6-12-11-13-9-5-4-8(2)7-10(9)14-11/h3,8H,1,4-7H2,2H3,(H,12,13).
What are the key properties of 6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 208.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 130557486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).