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

C11H12ClN3OS — CID 2964820

IUPAC5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(OC(C)c2nnc(N)s2)cc1Cl
InChIInChI=1S/C11H12ClN3OS/c1-6-3-4-8(5-9(6)12)16-7(2)10-14-15-11(13)17-10/h3-5,7H,1-2H3,(H2,13,15)
InChIKeyLEUCQVPEOSWDKN-UHFFFAOYSA-N
MW269.76 g/mol
LogP3.22
Rot. Bonds3

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

5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 2964820) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID2964820
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(OC(C)c2nnc(N)s2)cc1Cl
InChIInChI=1S/C11H12ClN3OS/c1-6-3-4-8(5-9(6)12)16-7(2)10-14-15-11(13)17-10/h3-5,7H,1-2H3,(H2,13,15)
InChIKeyLEUCQVPEOSWDKN-UHFFFAOYSA-N
XLogP3.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine (CID 2964820) is 5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine is Cc1ccc(OC(C)c2nnc(N)s2)cc1Cl.
What is the InChIKey of 5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LEUCQVPEOSWDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-6-3-4-8(5-9(6)12)16-7(2)10-14-15-11(13)17-10/h3-5,7H,1-2H3,(H2,13,15).
What are the key properties of 5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 269.76 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2964820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).