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

C15H12N4S2 — CID 135442620

IUPAC6-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
SMILESCc1csc(-c2[nH]c(C)nc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C15H12N4S2/c1-8-6-20-15(17-8)14-13(18-9(2)19-14)10-3-4-11-12(5-10)21-7-16-11/h3-7H,1-2H3,(H,18,19)
InChIKeyOJMAUYGFNZHUQI-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.43
Rot. Bonds2

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

6-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole (PubChem CID 135442620) has the molecular formula C15H12N4S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
PubChem CID135442620
Molecular FormulaC15H12N4S2
Molecular Weight312.42 g/mol
Exact Mass312.05
IUPAC Name6-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
SMILESCc1csc(-c2[nH]c(C)nc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C15H12N4S2/c1-8-6-20-15(17-8)14-13(18-9(2)19-14)10-3-4-11-12(5-10)21-7-16-11/h3-7H,1-2H3,(H,18,19)
InChIKeyOJMAUYGFNZHUQI-UHFFFAOYSA-N
XLogP4.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.43
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-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
The IUPAC name of 6-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole (CID 135442620) is 6-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
The canonical SMILES for 6-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole is Cc1csc(-c2[nH]c(C)nc2-c2ccc3ncsc3c2)n1.
What is the InChIKey of 6-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
The InChIKey is OJMAUYGFNZHUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S2/c1-8-6-20-15(17-8)14-13(18-9(2)19-14)10-3-4-11-12(5-10)21-7-16-11/h3-7H,1-2H3,(H,18,19).
What are the key properties of 6-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
6-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole has a molecular weight of 312.42 g/mol, XLogP of 4.43, 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-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 135442620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).