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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Related Compounds

6-(3-chlorophenoxy)pyrimidin-4-amine
CID 80869440
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741
[5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80619716
5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine
CID 80869635
2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
CID 171984782
6-(3-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80870325
5-chloro-2-(3-chlorophenoxy)pyrimidine
CID 13336560
3-(3-chlorophenoxy)-5-propan-2-yloxyaniline
CID 80748608
5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine
CID 117217070
2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine
CID 117190258
3-(3-chlorophenoxy)-5-fluoroaniline
CID 80752304
3,6-dichloro-5-(3-chlorophenoxy)-1,2,4-triazine
CID 81037722

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).