(4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol

C8H7BrN2OS2 — CID 105113117

IUPAC(4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol
SMILESCc1nnsc1C(O)c1cscc1Br
InChIInChI=1S/C8H7BrN2OS2/c1-4-8(14-11-10-4)7(12)5-2-13-3-6(5)9/h2-3,7,12H,1H3
InChIKeyBZTMYTHXPCGVOD-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.75
Rot. Bonds2

About (4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol

(4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol (PubChem CID 105113117) has the molecular formula C8H7BrN2OS2 and a molecular weight of 291.20 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol
PubChem CID105113117
Molecular FormulaC8H7BrN2OS2
Molecular Weight291.20 g/mol
Exact Mass289.92
IUPAC Name(4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol
SMILESCc1nnsc1C(O)c1cscc1Br
InChIInChI=1S/C8H7BrN2OS2/c1-4-8(14-11-10-4)7(12)5-2-13-3-6(5)9/h2-3,7,12H,1H3
InChIKeyBZTMYTHXPCGVOD-UHFFFAOYSA-N
XLogP2.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Methylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842557
1-(4-Methylthiadiazol-5-yl)-2-thiophen-3-ylethanol
CID 105089461
1-(4-Propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol
CID 105089500
1-(4-Ethylthiadiazol-5-yl)-2-thiophen-3-ylethanol
CID 105089501
1-(4-Propylthiadiazol-5-yl)-2-thiophen-3-ylethanol
CID 105089522
2-(4-Bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105090583
(4-Methylthiadiazol-5-yl)-thiophen-3-ylmethanol
CID 105102691
(4-Propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol
CID 105102715
(4-Ethylthiadiazol-5-yl)-thiophen-3-ylmethanol
CID 105102716
(4-Tert-butylthiadiazol-5-yl)-thiophen-3-ylmethanol
CID 105102736
(4-Propylthiadiazol-5-yl)-thiophen-3-ylmethanol
CID 105102738
(4-Methylthiadiazol-5-yl)-(5-methylthiophen-3-yl)methanol
CID 105103826

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol (CID 105113117) is (4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol is Cc1nnsc1C(O)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol?
The InChIKey is BZTMYTHXPCGVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS2/c1-4-8(14-11-10-4)7(12)5-2-13-3-6(5)9/h2-3,7,12H,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol?
(4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol has a molecular weight of 291.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(4-methylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105113117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).