3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine

C12H8BrN3S2 — CID 106949975

IUPAC3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine
SMILESNc1ccc(Sc2nccs2)c2ncc(Br)cc12
InChIInChI=1S/C12H8BrN3S2/c13-7-5-8-9(14)1-2-10(11(8)16-6-7)18-12-15-3-4-17-12/h1-6H,14H2
InChIKeyGIJTVCHKQNBXNC-UHFFFAOYSA-N
MW338.26 g/mol
LogP4.19
Rot. Bonds2

About 3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine

3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine (PubChem CID 106949975) has the molecular formula C12H8BrN3S2 and a molecular weight of 338.26 g/mol. Its IUPAC name is 3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine
PubChem CID106949975
Molecular FormulaC12H8BrN3S2
Molecular Weight338.26 g/mol
Exact Mass336.93
IUPAC Name3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine
SMILESNc1ccc(Sc2nccs2)c2ncc(Br)cc12
InChIInChI=1S/C12H8BrN3S2/c13-7-5-8-9(14)1-2-10(11(8)16-6-7)18-12-15-3-4-17-12/h1-6H,14H2
InChIKeyGIJTVCHKQNBXNC-UHFFFAOYSA-N
XLogP4.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-8-phenylsulfanylquinolin-5-amine
CID 106949932
3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine
CID 106950003
3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine
CID 106949945
3-bromo-8-(2-methylphenyl)sulfanylquinolin-5-amine
CID 106949970
3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine
CID 106949938
3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine
CID 106949983
3-bromo-8-(1-methyltetrazol-5-yl)sulfanylquinolin-5-amine
CID 106949934
2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole
CID 61375697
3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine
CID 106950007
5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one
CID 10563452
5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine
CID 103519175
3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949355

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine?
The IUPAC name of 3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine (CID 106949975) is 3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine.
What is the SMILES notation for 3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine?
The canonical SMILES for 3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine is Nc1ccc(Sc2nccs2)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine?
The InChIKey is GIJTVCHKQNBXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3S2/c13-7-5-8-9(14)1-2-10(11(8)16-6-7)18-12-15-3-4-17-12/h1-6H,14H2.
What are the key properties of 3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine?
3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine has a molecular weight of 338.26 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine is sourced from PubChem (CID 106949975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).