(3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol

C10H11BrN2O2S — CID 105099534

IUPAC(3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1occc1Br
InChIInChI=1S/C10H11BrN2O2S/c1-2-3-7-10(16-13-12-7)8(14)9-6(11)4-5-15-9/h4-5,8,14H,2-3H2,1H3
InChIKeyVAMHUXULIBYNND-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.93
Rot. Bonds4

About (3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol

(3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol (PubChem CID 105099534) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol
PubChem CID105099534
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name(3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1occc1Br
InChIInChI=1S/C10H11BrN2O2S/c1-2-3-7-10(16-13-12-7)8(14)9-6(11)4-5-15-9/h4-5,8,14H,2-3H2,1H3
InChIKeyVAMHUXULIBYNND-UHFFFAOYSA-N
XLogP2.93
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-(4-propylthiadiazol-5-yl)methanol
CID 105097375
(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
(2-ethylpyrazol-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105098198
(3-bromofuran-2-yl)-(thiadiazol-5-yl)methanol
CID 105099526
(5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105129238
cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol
CID 106657927
(4-ethylthiadiazol-5-yl)-(furan-2-yl)methanol
CID 105097357
(4-propylthiadiazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097071
(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105096391
1-(3-bromofuran-2-yl)pentane-1,2-diol
CID 103454948
(3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol
CID 66129848
2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol
CID 105114699

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol (CID 105099534) is (3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol is CCCc1nnsc1C(O)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol?
The InChIKey is VAMHUXULIBYNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c1-2-3-7-10(16-13-12-7)8(14)9-6(11)4-5-15-9/h4-5,8,14H,2-3H2,1H3.
What are the key properties of (3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol?
(3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol has a molecular weight of 303.18 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105099534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).