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

C10H10ClN3OS — CID 1089189

IUPAC5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCOc2ccc(Cl)cc2)s1
InChIInChI=1S/C10H10ClN3OS/c11-7-1-3-8(4-2-7)15-6-5-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14)
InChIKeyZUFMTDGRGLKIFZ-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.40
Rot. Bonds4

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

5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 1089189) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID1089189
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCOc2ccc(Cl)cc2)s1
InChIInChI=1S/C10H10ClN3OS/c11-7-1-3-8(4-2-7)15-6-5-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14)
InChIKeyZUFMTDGRGLKIFZ-UHFFFAOYSA-N
XLogP2.40
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 878471
5-(Phenoxymethyl)-1,3,4-thiadiazol-2-amine
CID 575084
5-[1-(2-Chloro-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine
CID 3155973
5-(1-Phenoxyethyl)-1,3,4-thiadiazol-2-amine
CID 3135847
5-[2-(2-Chloro-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine
CID 1089188
5-[1-(4-Chloro-2-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 2964818
5-[1-(3-Chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 2964820
5-[2-(2-Methoxy-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine
CID 1089186
5-[2-(4-Methoxy-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine
CID 1089187
5-((4-Chlorophenoxy)methyl)-1,3,4-thiadiazol-2-amine
CID 747906
5-[(2-Chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 921315
5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 974677

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine (CID 1089189) is 5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CCOc2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZUFMTDGRGLKIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c11-7-1-3-8(4-2-7)15-6-5-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14).
What are the key properties of 5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 255.73 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1089189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).