N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine

C24H26N4O2S — CID 126761060

IUPACN-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine
SMILESc1cc2nc(NC3CCCCC3)sc2cc1Cn1cnc2cc(OC3COC3)ccc21
InChIInChI=1S/C24H26N4O2S/c1-2-4-17(5-3-1)26-24-27-20-8-6-16(10-23(20)31-24)12-28-15-25-21-11-18(7-9-22(21)28)30-19-13-29-14-19/h6-11,15,17,19H,1-5,12-14H2,(H,26,27)
InChIKeyFTLQDJBIRWZOAV-UHFFFAOYSA-N
MW434.57 g/mol
LogP5.22
Rot. Bonds6

About N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine

N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine (PubChem CID 126761060) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine
PubChem CID126761060
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine
SMILESc1cc2nc(NC3CCCCC3)sc2cc1Cn1cnc2cc(OC3COC3)ccc21
InChIInChI=1S/C24H26N4O2S/c1-2-4-17(5-3-1)26-24-27-20-8-6-16(10-23(20)31-24)12-28-15-25-21-11-18(7-9-22(21)28)30-19-13-29-14-19/h6-11,15,17,19H,1-5,12-14H2,(H,26,27)
InChIKeyFTLQDJBIRWZOAV-UHFFFAOYSA-N
XLogP5.22
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine (CID 126761060) is N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine is c1cc2nc(NC3CCCCC3)sc2cc1Cn1cnc2cc(OC3COC3)ccc21.
What is the InChIKey of N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is FTLQDJBIRWZOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-2-4-17(5-3-1)26-24-27-20-8-6-16(10-23(20)31-24)12-28-15-25-21-11-18(7-9-22(21)28)30-19-13-29-14-19/h6-11,15,17,19H,1-5,12-14H2,(H,26,27).
What are the key properties of N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine?
N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 434.57 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 126761060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).