N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine

C12H14N4S — CID 18343052

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine
SMILESCCc1cc(NC2=NCCN2)cc2scnc12
InChIInChI=1S/C12H14N4S/c1-2-8-5-9(16-12-13-3-4-14-12)6-10-11(8)15-7-17-10/h5-7H,2-4H2,1H3,(H2,13,14,16)
InChIKeyJMGZXGVCHFFXED-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.23
Rot. Bonds2

About N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine (PubChem CID 18343052) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine
PubChem CID18343052
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine
SMILESCCc1cc(NC2=NCCN2)cc2scnc12
InChIInChI=1S/C12H14N4S/c1-2-8-5-9(16-12-13-3-4-14-12)6-10-11(8)15-7-17-10/h5-7H,2-4H2,1H3,(H2,13,14,16)
InChIKeyJMGZXGVCHFFXED-UHFFFAOYSA-N
XLogP2.23
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine (CID 18343052) is N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine is CCc1cc(NC2=NCCN2)cc2scnc12.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine?
The InChIKey is JMGZXGVCHFFXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-2-8-5-9(16-12-13-3-4-14-12)6-10-11(8)15-7-17-10/h5-7H,2-4H2,1H3,(H2,13,14,16).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine has a molecular weight of 246.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 18343052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).