[5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol

C11H12BrN3OS — CID 138020253

IUPAC[5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol
SMILESCc1nnsc1CNc1ccc(Br)cc1CO
InChIInChI=1S/C11H12BrN3OS/c1-7-11(17-15-14-7)5-13-10-3-2-9(12)4-8(10)6-16/h2-4,13,16H,5-6H2,1H3
InChIKeyIPIXRSYWWMHUOY-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.71
Rot. Bonds4

About [5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol

[5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol (PubChem CID 138020253) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is [5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol
PubChem CID138020253
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name[5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol
SMILESCc1nnsc1CNc1ccc(Br)cc1CO
InChIInChI=1S/C11H12BrN3OS/c1-7-11(17-15-14-7)5-13-10-3-2-9(12)4-8(10)6-16/h2-4,13,16H,5-6H2,1H3
InChIKeyIPIXRSYWWMHUOY-UHFFFAOYSA-N
XLogP2.71
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol?
The IUPAC name of [5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol (CID 138020253) is [5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol?
The canonical SMILES for [5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol is Cc1nnsc1CNc1ccc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol?
The InChIKey is IPIXRSYWWMHUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-7-11(17-15-14-7)5-13-10-3-2-9(12)4-8(10)6-16/h2-4,13,16H,5-6H2,1H3.
What are the key properties of [5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol?
[5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol has a molecular weight of 314.21 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(4-methylthiadiazol-5-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 138020253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).