6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole

C15H13N5S — CID 137373751

IUPAC6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
SMILESCc1nc(-c2ccc3ncsc3c2)c(-c2ccn(C)n2)[nH]1
InChIInChI=1S/C15H13N5S/c1-9-17-14(15(18-9)12-5-6-20(2)19-12)10-3-4-11-13(7-10)21-8-16-11/h3-8H,1-2H3,(H,17,18)
InChIKeyRZTNJEZQJKYVOY-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.40
Rot. Bonds2

About 6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole

6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole (PubChem CID 137373751) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
PubChem CID137373751
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
SMILESCc1nc(-c2ccc3ncsc3c2)c(-c2ccn(C)n2)[nH]1
InChIInChI=1S/C15H13N5S/c1-9-17-14(15(18-9)12-5-6-20(2)19-12)10-3-4-11-13(7-10)21-8-16-11/h3-8H,1-2H3,(H,17,18)
InChIKeyRZTNJEZQJKYVOY-UHFFFAOYSA-N
XLogP3.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
The IUPAC name of 6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole (CID 137373751) is 6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
The canonical SMILES for 6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole is Cc1nc(-c2ccc3ncsc3c2)c(-c2ccn(C)n2)[nH]1.
What is the InChIKey of 6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
The InChIKey is RZTNJEZQJKYVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-9-17-14(15(18-9)12-5-6-20(2)19-12)10-3-4-11-13(7-10)21-8-16-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of 6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole has a molecular weight of 295.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 137373751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).