(5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol

C15H16N2O2S — CID 105129238

IUPAC(5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H16N2O2S/c1-3-4-11-15(20-17-16-11)14(18)13-8-10-7-9(2)5-6-12(10)19-13/h5-8,14,18H,3-4H2,1-2H3
InChIKeyDOIYCROJWHGWNT-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.63
Rot. Bonds4

About (5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol

(5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol (PubChem CID 105129238) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol
PubChem CID105129238
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H16N2O2S/c1-3-4-11-15(20-17-16-11)14(18)13-8-10-7-9(2)5-6-12(10)19-13/h5-8,14,18H,3-4H2,1-2H3
InChIKeyDOIYCROJWHGWNT-UHFFFAOYSA-N
XLogP3.63
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
(3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105099534
(5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 105098446
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
(2-ethylpyrazol-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105098198
(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105096391
(7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol
CID 105130440
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
furan-3-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723617
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol (CID 105129238) is (5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol is CCCc1nnsc1C(O)c1cc2cc(C)ccc2o1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol?
The InChIKey is DOIYCROJWHGWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-3-4-11-15(20-17-16-11)14(18)13-8-10-7-9(2)5-6-12(10)19-13/h5-8,14,18H,3-4H2,1-2H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol?
(5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol has a molecular weight of 288.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105129238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).