5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine

C10H10ClN3OS — CID 3155972

IUPAC5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Oc1ccc(Cl)cc1)c1nnc(N)s1
InChIInChI=1S/C10H10ClN3OS/c1-6(9-13-14-10(12)16-9)15-8-4-2-7(11)3-5-8/h2-6H,1H3,(H2,12,14)
InChIKeyHTYDEDHDFUUPIN-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.91
Rot. Bonds3

About 5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine

5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 3155972) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID3155972
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Oc1ccc(Cl)cc1)c1nnc(N)s1
InChIInChI=1S/C10H10ClN3OS/c1-6(9-13-14-10(12)16-9)15-8-4-2-7(11)3-5-8/h2-6H,1H3,(H2,12,14)
InChIKeyHTYDEDHDFUUPIN-UHFFFAOYSA-N
XLogP2.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 1089194
(2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
CID 51592506
1-chloro-4-(1-chloroethoxy)benzene
CID 13323363
2-[1-(3,5-dichlorophenoxy)ethyl]-5-isocyanato-1,3,4-thiadiazole
CID 54545133
1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene
CID 154094550
4-[1-(4-chlorophenoxy)ethyl]-2-methylpyrimidine
CID 129051029
2-[4-(4-chlorophenoxy)phenoxy]propanethioamide
CID 12804845
5-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 170305847
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine
CID 130806498
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851756

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine (CID 3155972) is 5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine is CC(Oc1ccc(Cl)cc1)c1nnc(N)s1.
What is the InChIKey of 5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HTYDEDHDFUUPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-6(9-13-14-10(12)16-9)15-8-4-2-7(11)3-5-8/h2-6H,1H3,(H2,12,14).
What are the key properties of 5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 255.73 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3155972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).