(4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol

C8H8N2OS2 — CID 105102691

IUPAC(4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol
SMILESCc1nnsc1C(O)c1ccsc1
InChIInChI=1S/C8H8N2OS2/c1-5-8(13-10-9-5)7(11)6-2-3-12-4-6/h2-4,7,11H,1H3
InChIKeySHKICOHPGOBXSN-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.99
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol

(4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol (PubChem CID 105102691) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol
PubChem CID105102691
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name(4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol
SMILESCc1nnsc1C(O)c1ccsc1
InChIInChI=1S/C8H8N2OS2/c1-5-8(13-10-9-5)7(11)6-2-3-12-4-6/h2-4,7,11H,1H3
InChIKeySHKICOHPGOBXSN-UHFFFAOYSA-N
XLogP1.99
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Methylthiophen-3-yl)-(thiadiazol-4-yl)methanol
CID 102842253
(2-Methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 102842379
(4-Ethylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842425
(2-Methylthiophen-3-yl)-(thiadiazol-5-yl)methanol
CID 102842463
(2-Methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 102842516
(4-Methylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842557
(4-Methylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079900
(4-Propan-2-ylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079956
(4-Ethylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079958
(4-Tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079978
(4-Propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
2-(1-Benzothiophen-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105083304

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol?
The IUPAC name of (4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol (CID 105102691) is (4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol is Cc1nnsc1C(O)c1ccsc1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol?
The InChIKey is SHKICOHPGOBXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c1-5-8(13-10-9-5)7(11)6-2-3-12-4-6/h2-4,7,11H,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol?
(4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol has a molecular weight of 212.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-thiophen-3-ylmethanol is sourced from PubChem (CID 105102691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).