[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol

C12H15N3O2S — CID 80613528

IUPAC[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol
SMILESCCNc1nnc(COc2ccccc2CO)s1
InChIInChI=1S/C12H15N3O2S/c1-2-13-12-15-14-11(18-12)8-17-10-6-4-3-5-9(10)7-16/h3-6,16H,2,7-8H2,1H3,(H,13,15)
InChIKeyJMSXJWNZCCANGT-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.04
Rot. Bonds6

About [2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol

[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol (PubChem CID 80613528) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is [2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol
PubChem CID80613528
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol
SMILESCCNc1nnc(COc2ccccc2CO)s1
InChIInChI=1S/C12H15N3O2S/c1-2-13-12-15-14-11(18-12)8-17-10-6-4-3-5-9(10)7-16/h3-6,16H,2,7-8H2,1H3,(H,13,15)
InChIKeyJMSXJWNZCCANGT-UHFFFAOYSA-N
XLogP2.04
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol with MolForge

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Related Compounds

5-[(2-chloro-5-fluorophenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 114264315
5-[(2-bromophenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607857
5-[(4-tert-butyl-2-methylphenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80601503
N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608751
5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80610432
5-[(2-bromo-4-chlorophenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80608490
[2-[[2-(propylamino)-1,3-thiazol-5-yl]methoxy]phenyl]methanol
CID 79775065
N-ethyl-5-[4-(2-methylphenoxy)butyl]-1,3,4-thiadiazol-2-amine
CID 13272890
N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 103045654
5-[(2,3-difluorophenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614729
[2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190907
5-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103933897

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol?
The IUPAC name of [2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol (CID 80613528) is [2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol.
What is the SMILES notation for [2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol?
The canonical SMILES for [2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol is CCNc1nnc(COc2ccccc2CO)s1.
What is the InChIKey of [2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol?
The InChIKey is JMSXJWNZCCANGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-13-12-15-14-11(18-12)8-17-10-6-4-3-5-9(10)7-16/h3-6,16H,2,7-8H2,1H3,(H,13,15).
What are the key properties of [2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol?
[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol has a molecular weight of 265.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol is sourced from PubChem (CID 80613528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).