2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole

C18H16N4S — CID 70719180

IUPAC2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole
SMILESc1cncc(-c2nccn2CCCc2nc3ccccc3s2)c1
InChIInChI=1S/C18H16N4S/c1-2-7-16-15(6-1)21-17(23-16)8-4-11-22-12-10-20-18(22)14-5-3-9-19-13-14/h1-3,5-7,9-10,12-13H,4,8,11H2
InChIKeyOCMRIOCKEXNRPV-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.19
Rot. Bonds5

About 2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole

2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole (PubChem CID 70719180) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole
PubChem CID70719180
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole
SMILESc1cncc(-c2nccn2CCCc2nc3ccccc3s2)c1
InChIInChI=1S/C18H16N4S/c1-2-7-16-15(6-1)21-17(23-16)8-4-11-22-12-10-20-18(22)14-5-3-9-19-13-14/h1-3,5-7,9-10,12-13H,4,8,11H2
InChIKeyOCMRIOCKEXNRPV-UHFFFAOYSA-N
XLogP4.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1,3-benzothiazole
CID 6471901
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
2-(4-chlorobutyl)-1,3-benzothiazole
CID 28972434
5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine
CID 11336787
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107
2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole
CID 2365293
4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-N-methylbenzenesulfonamide
CID 56874308
2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline
CID 82558943
2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole
CID 116999900
2-(4-iodobutyl)-1,3-benzothiazole
CID 148618103
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
2-(4,4-dimethylpentyl)-1,3-benzothiazole
CID 129255452

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole?
The IUPAC name of 2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole (CID 70719180) is 2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole is c1cncc(-c2nccn2CCCc2nc3ccccc3s2)c1.
What is the InChIKey of 2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole?
The InChIKey is OCMRIOCKEXNRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-2-7-16-15(6-1)21-17(23-16)8-4-11-22-12-10-20-18(22)14-5-3-9-19-13-14/h1-3,5-7,9-10,12-13H,4,8,11H2.
What are the key properties of 2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole?
2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole has a molecular weight of 320.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole is sourced from PubChem (CID 70719180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).