2-(3-chlorophenoxy)-1,3-thiazol-4-amine

C9H7ClN2OS — CID 117189228

IUPAC2-(3-chlorophenoxy)-1,3-thiazol-4-amine
SMILESNc1csc(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C9H7ClN2OS/c10-6-2-1-3-7(4-6)13-9-12-8(11)5-14-9/h1-5H,11H2
InChIKeyQQHJUSODTPIFOZ-UHFFFAOYSA-N
MW226.69 g/mol
LogP3.17
Rot. Bonds2

About 2-(3-chlorophenoxy)-1,3-thiazol-4-amine

2-(3-chlorophenoxy)-1,3-thiazol-4-amine (PubChem CID 117189228) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1,3-thiazol-4-amine
PubChem CID117189228
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name2-(3-chlorophenoxy)-1,3-thiazol-4-amine
SMILESNc1csc(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C9H7ClN2OS/c10-6-2-1-3-7(4-6)13-9-12-8(11)5-14-9/h1-5H,11H2
InChIKeyQQHJUSODTPIFOZ-UHFFFAOYSA-N
XLogP3.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1,3-thiazol-4-amine?
The IUPAC name of 2-(3-chlorophenoxy)-1,3-thiazol-4-amine (CID 117189228) is 2-(3-chlorophenoxy)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-1,3-thiazol-4-amine is Nc1csc(Oc2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenoxy)-1,3-thiazol-4-amine?
The InChIKey is QQHJUSODTPIFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-6-2-1-3-7(4-6)13-9-12-8(11)5-14-9/h1-5H,11H2.
What are the key properties of 2-(3-chlorophenoxy)-1,3-thiazol-4-amine?
2-(3-chlorophenoxy)-1,3-thiazol-4-amine has a molecular weight of 226.69 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1,3-thiazol-4-amine is sourced from PubChem (CID 117189228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).