(7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol

C13H11ClN2O2S — CID 105130440

IUPAC(7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol
SMILESCCc1nnsc1C(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H11ClN2O2S/c1-2-9-13(19-16-15-9)11(17)10-6-7-4-3-5-8(14)12(7)18-10/h3-6,11,17H,2H2,1H3
InChIKeyBXWNHLRDBDOYPH-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.58
Rot. Bonds3

About (7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol

(7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol (PubChem CID 105130440) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol
PubChem CID105130440
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol
SMILESCCc1nnsc1C(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H11ClN2O2S/c1-2-9-13(19-16-15-9)11(17)10-6-7-4-3-5-8(14)12(7)18-10/h3-6,11,17H,2H2,1H3
InChIKeyBXWNHLRDBDOYPH-UHFFFAOYSA-N
XLogP3.58
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105130423
(7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408290
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185488
(7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol
CID 114727190
(4-ethylthiadiazol-5-yl)-(furan-2-yl)methanol
CID 105097357
(5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724447
N-[(4-ethylthiadiazol-5-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105186543
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105187003
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol
CID 114723288
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115837469

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol (CID 105130440) is (7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol is CCc1nnsc1C(O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol?
The InChIKey is BXWNHLRDBDOYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-2-9-13(19-16-15-9)11(17)10-6-7-4-3-5-8(14)12(7)18-10/h3-6,11,17H,2H2,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol?
(7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol has a molecular weight of 294.76 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105130440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).