(3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol

C9H9ClN2OS2 — CID 107361984

IUPAC(3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol
SMILESCCc1nnsc1C(O)c1sccc1Cl
InChIInChI=1S/C9H9ClN2OS2/c1-2-6-9(15-12-11-6)7(13)8-5(10)3-4-14-8/h3-4,7,13H,2H2,1H3
InChIKeyRGXHRDZWWODUMD-UHFFFAOYSA-N
MW260.77 g/mol
LogP2.90
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol

(3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol (PubChem CID 107361984) has the molecular formula C9H9ClN2OS2 and a molecular weight of 260.77 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol
PubChem CID107361984
Molecular FormulaC9H9ClN2OS2
Molecular Weight260.77 g/mol
Exact Mass259.98
IUPAC Name(3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol
SMILESCCc1nnsc1C(O)c1sccc1Cl
InChIInChI=1S/C9H9ClN2OS2/c1-2-6-9(15-12-11-6)7(13)8-5(10)3-4-14-8/h3-4,7,13H,2H2,1H3
InChIKeyRGXHRDZWWODUMD-UHFFFAOYSA-N
XLogP2.90
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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)-(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
1-(4-Methylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087134
1-(4-Propan-2-ylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087162
1-(4-Ethylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087163

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol (CID 107361984) is (3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol is CCc1nnsc1C(O)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol?
The InChIKey is RGXHRDZWWODUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS2/c1-2-6-9(15-12-11-6)7(13)8-5(10)3-4-14-8/h3-4,7,13H,2H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol?
(3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol has a molecular weight of 260.77 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanol is sourced from PubChem (CID 107361984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).