6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole

C14H11N5S — CID 137394133

IUPAC6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
SMILESCn1ccc(-c2[nH]cnc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C14H11N5S/c1-19-5-4-11(18-19)14-13(15-7-16-14)9-2-3-10-12(6-9)20-8-17-10/h2-8H,1H3,(H,15,16)
InChIKeyFWFVDDHKDLANCM-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.09
Rot. Bonds2

About 6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole

6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole (PubChem CID 137394133) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
PubChem CID137394133
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
SMILESCn1ccc(-c2[nH]cnc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C14H11N5S/c1-19-5-4-11(18-19)14-13(15-7-16-14)9-2-3-10-12(6-9)20-8-17-10/h2-8H,1H3,(H,15,16)
InChIKeyFWFVDDHKDLANCM-UHFFFAOYSA-N
XLogP3.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole 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-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
The IUPAC name of 6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole (CID 137394133) is 6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
The canonical SMILES for 6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole is Cn1ccc(-c2[nH]cnc2-c2ccc3ncsc3c2)n1.
What is the InChIKey of 6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
The InChIKey is FWFVDDHKDLANCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-19-5-4-11(18-19)14-13(15-7-16-14)9-2-3-10-12(6-9)20-8-17-10/h2-8H,1H3,(H,15,16).
What are the key properties of 6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole has a molecular weight of 281.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 137394133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).