6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine

C22H25N5S2 — CID 87275646

IUPAC6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine
SMILESNc1nc2ccc(NC3SC=CN3C3CCN(Cc4ccccc4)CC3)cc2s1
InChIInChI=1S/C22H25N5S2/c23-21-25-19-7-6-17(14-20(19)29-21)24-22-27(12-13-28-22)18-8-10-26(11-9-18)15-16-4-2-1-3-5-16/h1-7,12-14,18,22,24H,8-11,15H2,(H2,23,25)
InChIKeyFRWOVCXMGZAZFD-UHFFFAOYSA-N
MW423.61 g/mol
LogP4.76
Rot. Bonds5

About 6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine

6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine (PubChem CID 87275646) has the molecular formula C22H25N5S2 and a molecular weight of 423.61 g/mol. Its IUPAC name is 6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine
PubChem CID87275646
Molecular FormulaC22H25N5S2
Molecular Weight423.61 g/mol
Exact Mass423.16
IUPAC Name6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine
SMILESNc1nc2ccc(NC3SC=CN3C3CCN(Cc4ccccc4)CC3)cc2s1
InChIInChI=1S/C22H25N5S2/c23-21-25-19-7-6-17(14-20(19)29-21)24-22-27(12-13-28-22)18-8-10-26(11-9-18)15-16-4-2-1-3-5-16/h1-7,12-14,18,22,24H,8-11,15H2,(H2,23,25)
InChIKeyFRWOVCXMGZAZFD-UHFFFAOYSA-N
XLogP4.76
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine 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 6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine (CID 87275646) is 6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine is Nc1nc2ccc(NC3SC=CN3C3CCN(Cc4ccccc4)CC3)cc2s1.
What is the InChIKey of 6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine?
The InChIKey is FRWOVCXMGZAZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5S2/c23-21-25-19-7-6-17(14-20(19)29-21)24-22-27(12-13-28-22)18-8-10-26(11-9-18)15-16-4-2-1-3-5-16/h1-7,12-14,18,22,24H,8-11,15H2,(H2,23,25).
What are the key properties of 6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine?
6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine has a molecular weight of 423.61 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(1-benzylpiperidin-4-yl)-2H-1,3-thiazol-2-yl]-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 87275646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).