1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol

C10H13N3O2S — CID 115907720

IUPAC1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol
SMILESCc1ccc(C(O)CNCc2csnn2)o1
InChIInChI=1S/C10H13N3O2S/c1-7-2-3-10(15-7)9(14)5-11-4-8-6-16-13-12-8/h2-3,6,9,11,14H,4-5H2,1H3
InChIKeyIMZYMEMRVHQLDX-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.26
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol

1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol (PubChem CID 115907720) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol
PubChem CID115907720
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol
SMILESCc1ccc(C(O)CNCc2csnn2)o1
InChIInChI=1S/C10H13N3O2S/c1-7-2-3-10(15-7)9(14)5-11-4-8-6-16-13-12-8/h2-3,6,9,11,14H,4-5H2,1H3
InChIKeyIMZYMEMRVHQLDX-UHFFFAOYSA-N
XLogP1.26
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907114
4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907348
2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 115405649
2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115646640
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(thiadiazol-4-yl)methanamine
CID 103275447
1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 115904997
2-(cyclopentylmethylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115907721
N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 115907644
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
2-(1-cyclopropylethylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115677292
2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907182
2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine
CID 43734851

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol (CID 115907720) is 1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol is Cc1ccc(C(O)CNCc2csnn2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol?
The InChIKey is IMZYMEMRVHQLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7-2-3-10(15-7)9(14)5-11-4-8-6-16-13-12-8/h2-3,6,9,11,14H,4-5H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol?
1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol has a molecular weight of 239.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol is sourced from PubChem (CID 115907720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).