6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine

C14H8Cl2N4S — CID 82005407

IUPAC6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2s1
InChIInChI=1S/C14H8Cl2N4S/c15-7-4-10-11(5-8(7)16)19-13(18-10)6-1-2-9-12(3-6)21-14(17)20-9/h1-5H,(H2,17,20)(H,18,19)
InChIKeyILFAPLXKUOHVCN-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.73
Rot. Bonds1

About 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine

6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 82005407) has the molecular formula C14H8Cl2N4S and a molecular weight of 335.22 g/mol. Its IUPAC name is 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID82005407
Molecular FormulaC14H8Cl2N4S
Molecular Weight335.22 g/mol
Exact Mass333.98
IUPAC Name6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2s1
InChIInChI=1S/C14H8Cl2N4S/c15-7-4-10-11(5-8(7)16)19-13(18-10)6-1-2-9-12(3-6)21-14(17)20-9/h1-5H,(H2,17,20)(H,18,19)
InChIKeyILFAPLXKUOHVCN-UHFFFAOYSA-N
XLogP4.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine
CID 17336802
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82001524
2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one
CID 168552705
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
CID 78912113
5,6-dichloro-2-(3,5-difluorophenyl)-1H-benzimidazole
CID 82005304
3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
CID 82001058
6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 122184482
6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82001599
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine (CID 82005407) is 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2s1.
What is the InChIKey of 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is ILFAPLXKUOHVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4S/c15-7-4-10-11(5-8(7)16)19-13(18-10)6-1-2-9-12(3-6)21-14(17)20-9/h1-5H,(H2,17,20)(H,18,19).
What are the key properties of 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine?
6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 335.22 g/mol, XLogP of 4.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82005407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).