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

C8H5Br2NOS2 — CID 131172120

IUPAC(2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccns1)c1cc(Br)sc1Br
InChIInChI=1S/C8H5Br2NOS2/c9-6-3-4(8(10)13-6)7(12)5-1-2-11-14-5/h1-3,7,12H
InChIKeyMPTMZCSNAIQMRP-UHFFFAOYSA-N
MW355.08 g/mol
LogP3.81
Rot. Bonds2

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

(2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol (PubChem CID 131172120) has the molecular formula C8H5Br2NOS2 and a molecular weight of 355.08 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol
PubChem CID131172120
Molecular FormulaC8H5Br2NOS2
Molecular Weight355.08 g/mol
Exact Mass352.82
IUPAC Name(2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccns1)c1cc(Br)sc1Br
InChIInChI=1S/C8H5Br2NOS2/c9-6-3-4(8(10)13-6)7(12)5-1-2-11-14-5/h1-3,7,12H
InChIKeyMPTMZCSNAIQMRP-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

(5-Bromo-4-methylthiophen-2-yl)-(1,2-thiazol-5-yl)methanol
CID 130900893
(2-Chlorothiophen-3-yl)-(1,2-thiazol-5-yl)methanol
CID 130917854
1-(1,2-Thiazol-5-yl)-1-thiophen-3-ylethanol
CID 130942822
(4-Bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol
CID 131003195
(4,5-Dimethylthiophen-2-yl)-(1,2-thiazol-5-yl)methanol
CID 131172119

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol (CID 131172120) is (2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol is OC(c1ccns1)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is MPTMZCSNAIQMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NOS2/c9-6-3-4(8(10)13-6)7(12)5-1-2-11-14-5/h1-3,7,12H.
What are the key properties of (2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol?
(2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-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 (2,5-dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 131172120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).