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

C16H10ClN3S — CID 122510648

IUPAC6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole
SMILESClc1cccc(-c2nc[nH]c2-c2ccc3ncsc3c2)c1
InChIInChI=1S/C16H10ClN3S/c17-12-3-1-2-10(6-12)15-16(19-8-18-15)11-4-5-13-14(7-11)21-9-20-13/h1-9H,(H,18,19)
InChIKeyLJBLSXZRCXOCHC-UHFFFAOYSA-N
MW311.80 g/mol
LogP5.01
Rot. Bonds2

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

6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole (PubChem CID 122510648) has the molecular formula C16H10ClN3S and a molecular weight of 311.80 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole
PubChem CID122510648
Molecular FormulaC16H10ClN3S
Molecular Weight311.80 g/mol
Exact Mass311.03
IUPAC Name6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole
SMILESClc1cccc(-c2nc[nH]c2-c2ccc3ncsc3c2)c1
InChIInChI=1S/C16H10ClN3S/c17-12-3-1-2-10(6-12)15-16(19-8-18-15)11-4-5-13-14(7-11)21-9-20-13/h1-9H,(H,18,19)
InChIKeyLJBLSXZRCXOCHC-UHFFFAOYSA-N
XLogP5.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.80
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole
CID 122510529
6-(3-chlorophenyl)-1,3-benzothiazole
CID 166918051
6-[5-(3-chlorophenyl)-3-methylimidazol-4-yl]-1,3-benzothiazole
CID 122510791
6-(1H-pyrrol-2-yl)-1,3-benzothiazole
CID 67416063
6-(2-chloropyrimidin-4-yl)-1,3-benzothiazole
CID 134228541
6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094461
6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]quinolin-3-amine
CID 160937361
6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole
CID 89475054
6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole
CID 156779617
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
6-fluoranthen-3-yl-1,3-benzothiazole
CID 121287541
3-[3-(1,3-benzothiazol-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605008

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole?
The IUPAC name of 6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole (CID 122510648) is 6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole?
The canonical SMILES for 6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole is Clc1cccc(-c2nc[nH]c2-c2ccc3ncsc3c2)c1.
What is the InChIKey of 6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole?
The InChIKey is LJBLSXZRCXOCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3S/c17-12-3-1-2-10(6-12)15-16(19-8-18-15)11-4-5-13-14(7-11)21-9-20-13/h1-9H,(H,18,19).
What are the key properties of 6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole?
6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole has a molecular weight of 311.80 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole is sourced from PubChem (CID 122510648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).