[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol

C10H11N3O2S — CID 58260849

IUPAC[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol
SMILESCOc1ccc(Nc2nnc(CO)s2)cc1
InChIInChI=1S/C10H11N3O2S/c1-15-8-4-2-7(3-5-8)11-10-13-12-9(6-14)16-10/h2-5,14H,6H2,1H3,(H,11,13)
InChIKeyYCGZAAWNUFTHDN-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.78
Rot. Bonds4

About [5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol

[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 58260849) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is [5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol
PubChem CID58260849
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol
SMILESCOc1ccc(Nc2nnc(CO)s2)cc1
InChIInChI=1S/C10H11N3O2S/c1-15-8-4-2-7(3-5-8)11-10-13-12-9(6-14)16-10/h2-5,14H,6H2,1H3,(H,11,13)
InChIKeyYCGZAAWNUFTHDN-UHFFFAOYSA-N
XLogP1.78
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methylsulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 123907368
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 3238317
1-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 170458655
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 133425544
2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol
CID 135585492
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 82065160
5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 98017566
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 733423
2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol
CID 14700312
N-(4-methoxyphenyl)-5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 2659144

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol (CID 58260849) is [5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol is COc1ccc(Nc2nnc(CO)s2)cc1.
What is the InChIKey of [5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is YCGZAAWNUFTHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-15-8-4-2-7(3-5-8)11-10-13-12-9(6-14)16-10/h2-5,14H,6H2,1H3,(H,11,13).
What are the key properties of [5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol?
[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 237.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 58260849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).