5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine

C16H10ClN3S — CID 63547522

IUPAC5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine
SMILESClc1ccc2sc(Nc3cnc4ccccc4c3)nc2c1
InChIInChI=1S/C16H10ClN3S/c17-11-5-6-15-14(8-11)20-16(21-15)19-12-7-10-3-1-2-4-13(10)18-9-12/h1-9H,(H,19,20)
InChIKeyULQSOXRZLDLXKA-UHFFFAOYSA-N
MW311.80 g/mol
LogP5.24
Rot. Bonds2

About 5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine

5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine (PubChem CID 63547522) has the molecular formula C16H10ClN3S and a molecular weight of 311.80 g/mol. Its IUPAC name is 5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine
PubChem CID63547522
Molecular FormulaC16H10ClN3S
Molecular Weight311.80 g/mol
Exact Mass311.03
IUPAC Name5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine
SMILESClc1ccc2sc(Nc3cnc4ccccc4c3)nc2c1
InChIInChI=1S/C16H10ClN3S/c17-11-5-6-15-14(8-11)20-16(21-15)19-12-7-10-3-1-2-4-13(10)18-9-12/h1-9H,(H,19,20)
InChIKeyULQSOXRZLDLXKA-UHFFFAOYSA-N
XLogP5.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.80
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)quinolin-3-amine
CID 24828267
N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
CID 50879036
5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 43306502
N-(3-chloro-4-fluorophenyl)quinolin-3-amine
CID 82536187
N-(5-chloro-3-fluoro-2-pyridinyl)quinolin-3-amine
CID 79728611
1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760291
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43307023
N-quinolin-3-ylhydroxylamine
CID 54286324
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine (CID 63547522) is 5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine is Clc1ccc2sc(Nc3cnc4ccccc4c3)nc2c1.
What is the InChIKey of 5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine?
The InChIKey is ULQSOXRZLDLXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3S/c17-11-5-6-15-14(8-11)20-16(21-15)19-12-7-10-3-1-2-4-13(10)18-9-12/h1-9H,(H,19,20).
What are the key properties of 5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine?
5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine has a molecular weight of 311.80 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63547522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).