4-chloro-1,3-benzothiazole;quinoline

C16H11ClN2S — CID 157349883

IUPAC4-chloro-1,3-benzothiazole;quinoline
SMILESClc1cccc2scnc12.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H4ClNS/c1-2-6-9-8(4-1)5-3-7-10-9;8-5-2-1-3-6-7(5)9-4-10-6/h1-7H;1-4H
InChIKeyBHKDSYSWLLBVLF-UHFFFAOYSA-N
MW298.80 g/mol
LogP5.18
Rot. Bonds

About 4-chloro-1,3-benzothiazole;quinoline

4-chloro-1,3-benzothiazole;quinoline (PubChem CID 157349883) has the molecular formula C16H11ClN2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 4-chloro-1,3-benzothiazole;quinoline.

Molecular Properties

Compound Name4-chloro-1,3-benzothiazole;quinoline
PubChem CID157349883
Molecular FormulaC16H11ClN2S
Molecular Weight298.80 g/mol
Exact Mass298.03
IUPAC Name4-chloro-1,3-benzothiazole;quinoline
SMILESClc1cccc2scnc12.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H4ClNS/c1-2-6-9-8(4-1)5-3-7-10-9;8-5-2-1-3-6-7(5)9-4-10-6/h1-7H;1-4H
InChIKeyBHKDSYSWLLBVLF-UHFFFAOYSA-N
XLogP5.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.80
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

quinoline
CID 76974643
4-quinolin-2-yl-1,3-benzothiazole
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osmium(2+);quinoline
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quinoline;silver
CID 88761492
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
1,1-dichloroethane;quinoline
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CID 159945466
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CID 142226527

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-benzothiazole;quinoline?
The IUPAC name of 4-chloro-1,3-benzothiazole;quinoline (CID 157349883) is 4-chloro-1,3-benzothiazole;quinoline.
What is the SMILES notation for 4-chloro-1,3-benzothiazole;quinoline?
The canonical SMILES for 4-chloro-1,3-benzothiazole;quinoline is Clc1cccc2scnc12.c1ccc2ncccc2c1.
What is the InChIKey of 4-chloro-1,3-benzothiazole;quinoline?
The InChIKey is BHKDSYSWLLBVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H4ClNS/c1-2-6-9-8(4-1)5-3-7-10-9;8-5-2-1-3-6-7(5)9-4-10-6/h1-7H;1-4H.
What are the key properties of 4-chloro-1,3-benzothiazole;quinoline?
4-chloro-1,3-benzothiazole;quinoline has a molecular weight of 298.80 g/mol, XLogP of 5.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-benzothiazole;quinoline is sourced from PubChem (CID 157349883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).