N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine

C17H11BrN4OS — CID 141187994

IUPACN-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESBrc1cnc(Nc2nccs2)cc1Oc1cccc2ncccc12
InChIInChI=1S/C17H11BrN4OS/c18-12-10-21-16(22-17-20-7-8-24-17)9-15(12)23-14-5-1-4-13-11(14)3-2-6-19-13/h1-10H,(H,20,21,22)
InChIKeyDOGCNIHZTQKHRA-UHFFFAOYSA-N
MW399.27 g/mol
LogP5.38
Rot. Bonds4

About N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine

N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 141187994) has the molecular formula C17H11BrN4OS and a molecular weight of 399.27 g/mol. Its IUPAC name is N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID141187994
Molecular FormulaC17H11BrN4OS
Molecular Weight399.27 g/mol
Exact Mass397.98
IUPAC NameN-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESBrc1cnc(Nc2nccs2)cc1Oc1cccc2ncccc12
InChIInChI=1S/C17H11BrN4OS/c18-12-10-21-16(22-17-20-7-8-24-17)9-15(12)23-14-5-1-4-13-11(14)3-2-6-19-13/h1-10H,(H,20,21,22)
InChIKeyDOGCNIHZTQKHRA-UHFFFAOYSA-N
XLogP5.38
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.27
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-4-phenyl-1,3-thiazol-2-amine
CID 87076613
4-bromo-2-quinolin-5-yloxyaniline
CID 103044042
5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline
CID 145139401
4-quinolin-5-yloxypyridin-3-amine
CID 103043914
5-pyridin-4-yloxyquinoline
CID 91445201
2-bromo-4-quinolin-5-yloxybenzenecarboximidamide
CID 107279689
(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol
CID 103045410
5-[(2,6-dichloro-4-pyridinyl)oxy]quinoline
CID 151981623
2-quinolin-5-yloxybenzaldehyde
CID 103045116
2-methoxy-6-quinolin-5-yloxyaniline
CID 103043894
3-chloro-4-quinolin-5-yloxybenzonitrile
CID 103044737
2-chloro-6-quinolin-5-yloxybenzaldehyde
CID 103045107

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine (CID 141187994) is N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine is Brc1cnc(Nc2nccs2)cc1Oc1cccc2ncccc12.
What is the InChIKey of N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is DOGCNIHZTQKHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4OS/c18-12-10-21-16(22-17-20-7-8-24-17)9-15(12)23-14-5-1-4-13-11(14)3-2-6-19-13/h1-10H,(H,20,21,22).
What are the key properties of N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine?
N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 399.27 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-quinolin-5-yloxy-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 141187994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).