2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol

C10H10ClN3OS2 — CID 47148704

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol
SMILESNc1nnc(SCC(O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H10ClN3OS2/c11-7-3-1-6(2-4-7)8(15)5-16-10-14-13-9(12)17-10/h1-4,8,15H,5H2,(H2,12,13)
InChIKeyAFTVBVPBWYDFKI-UHFFFAOYSA-N
MW287.80 g/mol
LogP2.60
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol (PubChem CID 47148704) has the molecular formula C10H10ClN3OS2 and a molecular weight of 287.80 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol
PubChem CID47148704
Molecular FormulaC10H10ClN3OS2
Molecular Weight287.80 g/mol
Exact Mass287.00
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol
SMILESNc1nnc(SCC(O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H10ClN3OS2/c11-7-3-1-6(2-4-7)8(15)5-16-10-14-13-9(12)17-10/h1-4,8,15H,5H2,(H2,12,13)
InChIKeyAFTVBVPBWYDFKI-UHFFFAOYSA-N
XLogP2.60
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 47148653
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8633686
(2R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol
CID 7107533
1-(4-aminophenyl)-2-(4-chlorophenyl)sulfanylethanol
CID 62265413
1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
CID 110884759
5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 81093628
(2S)-1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-carbazol-9-ylpropan-2-ol
CID 32695207
1-(3,4-difluorophenyl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 86787875
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 71901728
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide
CID 64560562
(3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide
CID 159122040
5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 4962191

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol (CID 47148704) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol is Nc1nnc(SCC(O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol?
The InChIKey is AFTVBVPBWYDFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS2/c11-7-3-1-6(2-4-7)8(15)5-16-10-14-13-9(12)17-10/h1-4,8,15H,5H2,(H2,12,13).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol has a molecular weight of 287.80 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 47148704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).