N-quinolin-8-yl-1,3-benzothiazol-2-amine

C16H11N3S — CID 29067966

IUPACN-quinolin-8-yl-1,3-benzothiazol-2-amine
SMILESc1cnc2c(Nc3nc4ccccc4s3)cccc2c1
InChIInChI=1S/C16H11N3S/c1-2-9-14-12(7-1)18-16(20-14)19-13-8-3-5-11-6-4-10-17-15(11)13/h1-10H,(H,18,19)
InChIKeyACPUCDINIUSLJS-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.59
Rot. Bonds2

About N-quinolin-8-yl-1,3-benzothiazol-2-amine

N-quinolin-8-yl-1,3-benzothiazol-2-amine (PubChem CID 29067966) has the molecular formula C16H11N3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-quinolin-8-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-quinolin-8-yl-1,3-benzothiazol-2-amine
PubChem CID29067966
Molecular FormulaC16H11N3S
Molecular Weight277.35 g/mol
Exact Mass277.07
IUPAC NameN-quinolin-8-yl-1,3-benzothiazol-2-amine
SMILESc1cnc2c(Nc3nc4ccccc4s3)cccc2c1
InChIInChI=1S/C16H11N3S/c1-2-9-14-12(7-1)18-16(20-14)19-13-8-3-5-11-6-4-10-17-15(11)13/h1-10H,(H,18,19)
InChIKeyACPUCDINIUSLJS-UHFFFAOYSA-N
XLogP4.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-1,3-benzothiazol-2-amine?
The IUPAC name of N-quinolin-8-yl-1,3-benzothiazol-2-amine (CID 29067966) is N-quinolin-8-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-quinolin-8-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-quinolin-8-yl-1,3-benzothiazol-2-amine is c1cnc2c(Nc3nc4ccccc4s3)cccc2c1.
What is the InChIKey of N-quinolin-8-yl-1,3-benzothiazol-2-amine?
The InChIKey is ACPUCDINIUSLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S/c1-2-9-14-12(7-1)18-16(20-14)19-13-8-3-5-11-6-4-10-17-15(11)13/h1-10H,(H,18,19).
What are the key properties of N-quinolin-8-yl-1,3-benzothiazol-2-amine?
N-quinolin-8-yl-1,3-benzothiazol-2-amine has a molecular weight of 277.35 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 29067966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).