N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine

C11H14N2S — CID 145308863

IUPACN-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine
SMILESC=CCCNC1Nc2ccccc2S1
InChIInChI=1S/C11H14N2S/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-11/h2,4-7,11-13H,1,3,8H2
InChIKeyGNTIZALIRBFADJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.65
Rot. Bonds4

About N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine

N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine (PubChem CID 145308863) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine
PubChem CID145308863
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine
SMILESC=CCCNC1Nc2ccccc2S1
InChIInChI=1S/C11H14N2S/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-11/h2,4-7,11-13H,1,3,8H2
InChIKeyGNTIZALIRBFADJ-UHFFFAOYSA-N
XLogP2.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine (CID 145308863) is N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine is C=CCCNC1Nc2ccccc2S1.
What is the InChIKey of N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine?
The InChIKey is GNTIZALIRBFADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-11/h2,4-7,11-13H,1,3,8H2.
What are the key properties of N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine?
N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine has a molecular weight of 206.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2,3-dihydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 145308863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).