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

C9H8BrNOS2 — CID 131140690

IUPAC(5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
SMILESCc1cc(C(O)c2ccsn2)sc1Br
InChIInChI=1S/C9H8BrNOS2/c1-5-4-7(14-9(5)10)8(12)6-2-3-13-11-6/h2-4,8,12H,1H3
InChIKeyXULPNAOUMWNWFR-UHFFFAOYSA-N
MW290.21 g/mol
LogP3.36
Rot. Bonds2

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

(5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol (PubChem CID 131140690) has the molecular formula C9H8BrNOS2 and a molecular weight of 290.21 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
PubChem CID131140690
Molecular FormulaC9H8BrNOS2
Molecular Weight290.21 g/mol
Exact Mass288.92
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
SMILESCc1cc(C(O)c2ccsn2)sc1Br
InChIInChI=1S/C9H8BrNOS2/c1-5-4-7(14-9(5)10)8(12)6-2-3-13-11-6/h2-4,8,12H,1H3
InChIKeyXULPNAOUMWNWFR-UHFFFAOYSA-N
XLogP3.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Methyl-1,2-thiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 130604946
(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
(4,5-Dibromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130857207
(5-Bromo-4-methylthiophen-2-yl)-(1,2-thiazol-5-yl)methanol
CID 130900893
(3-Bromothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130906083
1-(3-Methylthiophen-2-yl)-1-(1,2-thiazol-3-yl)ethanol
CID 130965084
(4-Methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 131033823

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol (CID 131140690) is (5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol is Cc1cc(C(O)c2ccsn2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol?
The InChIKey is XULPNAOUMWNWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS2/c1-5-4-7(14-9(5)10)8(12)6-2-3-13-11-6/h2-4,8,12H,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol has a molecular weight of 290.21 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 131140690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).