N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine

C17H13N3S — CID 103818915

IUPACN-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine
SMILESc1ccc2nc(CNc3ccc4ncsc4c3)ccc2c1
InChIInChI=1S/C17H13N3S/c1-2-4-15-12(3-1)5-6-14(20-15)10-18-13-7-8-16-17(9-13)21-11-19-16/h1-9,11,18H,10H2
InChIKeyBCKIHDZIBYFAMA-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.46
Rot. Bonds3

About N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine

N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine (PubChem CID 103818915) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine
PubChem CID103818915
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC NameN-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine
SMILESc1ccc2nc(CNc3ccc4ncsc4c3)ccc2c1
InChIInChI=1S/C17H13N3S/c1-2-4-15-12(3-1)5-6-14(20-15)10-18-13-7-8-16-17(9-13)21-11-19-16/h1-9,11,18H,10H2
InChIKeyBCKIHDZIBYFAMA-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine (CID 103818915) is N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine is c1ccc2nc(CNc3ccc4ncsc4c3)ccc2c1.
What is the InChIKey of N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine?
The InChIKey is BCKIHDZIBYFAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-2-4-15-12(3-1)5-6-14(20-15)10-18-13-7-8-16-17(9-13)21-11-19-16/h1-9,11,18H,10H2.
What are the key properties of N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine?
N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine has a molecular weight of 291.38 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 103818915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).