(4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol

C8H5Br2NOS2 — CID 130857207

IUPAC(4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H5Br2NOS2/c9-4-3-6(14-8(4)10)7(12)5-1-2-13-11-5/h1-3,7,12H
InChIKeyKGUZCKVFSNUJLR-UHFFFAOYSA-N
MW355.08 g/mol
LogP3.81
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol

(4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol (PubChem CID 130857207) has the molecular formula C8H5Br2NOS2 and a molecular weight of 355.08 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
PubChem CID130857207
Molecular FormulaC8H5Br2NOS2
Molecular Weight355.08 g/mol
Exact Mass352.82
IUPAC Name(4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H5Br2NOS2/c9-4-3-6(14-8(4)10)7(12)5-1-2-13-11-5/h1-3,7,12H
InChIKeyKGUZCKVFSNUJLR-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.08
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Bromothiophen-2-yl)-(thiadiazol-4-yl)methanol
CID 105119369
(5-Chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130619430
(5-Ethylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130625390
(5-Bromothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130626593
(2-Methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 130631086
1,2-Thiazol-3-yl(thiophen-2-yl)methanol
CID 130658815
(3-Ethylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130736495
(3-Bromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130906083
(5-Bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 131140690
(5-(Thiophen-2-yl)isothiazol-3-yl)methanol
CID 146013524

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol (CID 130857207) is (4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol is OC(c1ccsn1)c1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol?
The InChIKey is KGUZCKVFSNUJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NOS2/c9-4-3-6(14-8(4)10)7(12)5-1-2-13-11-5/h1-3,7,12H.
What are the key properties of (4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol?
(4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol has a molecular weight of 355.08 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 130857207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).