(4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol

C11H8BrN3OS — CID 69330965

IUPAC(4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol
SMILESNc1nc2cc(Br)ccc2c2sc(CO)nc12
InChIInChI=1S/C11H8BrN3OS/c12-5-1-2-6-7(3-5)14-11(13)9-10(6)17-8(4-16)15-9/h1-3,16H,4H2,(H2,13,14)
InChIKeyLNYGHSISPRBLQB-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.68
Rot. Bonds1

About (4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol

(4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol (PubChem CID 69330965) has the molecular formula C11H8BrN3OS and a molecular weight of 310.18 g/mol. Its IUPAC name is (4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol.

Molecular Properties

Compound Name(4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol
PubChem CID69330965
Molecular FormulaC11H8BrN3OS
Molecular Weight310.18 g/mol
Exact Mass308.96
IUPAC Name(4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol
SMILESNc1nc2cc(Br)ccc2c2sc(CO)nc12
InChIInChI=1S/C11H8BrN3OS/c12-5-1-2-6-7(3-5)14-11(13)9-10(6)17-8(4-16)15-9/h1-3,16H,4H2,(H2,13,14)
InChIKeyLNYGHSISPRBLQB-UHFFFAOYSA-N
XLogP2.68
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol?
The IUPAC name of (4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol (CID 69330965) is (4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol.
What is the SMILES notation for (4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol?
The canonical SMILES for (4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol is Nc1nc2cc(Br)ccc2c2sc(CO)nc12.
What is the InChIKey of (4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol?
The InChIKey is LNYGHSISPRBLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3OS/c12-5-1-2-6-7(3-5)14-11(13)9-10(6)17-8(4-16)15-9/h1-3,16H,4H2,(H2,13,14).
What are the key properties of (4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol?
(4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol has a molecular weight of 310.18 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-bromo-[1,3]thiazolo[4,5-c]quinolin-2-yl)methanol is sourced from PubChem (CID 69330965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).