2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine

C9H7ClN2O3S — CID 117190258

IUPAC2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine
SMILESNC1=CN=C(Oc2cccc(Cl)c2)S1(=O)=O
InChIInChI=1S/C9H7ClN2O3S/c10-6-2-1-3-7(4-6)15-9-12-5-8(11)16(9,13)14/h1-5H,11H2
InChIKeyDXZFFQUEVYBVOK-UHFFFAOYSA-N
MW258.69 g/mol
LogP1.26
Rot. Bonds1

About 2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine

2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine (PubChem CID 117190258) has the molecular formula C9H7ClN2O3S and a molecular weight of 258.69 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine
PubChem CID117190258
Molecular FormulaC9H7ClN2O3S
Molecular Weight258.69 g/mol
Exact Mass257.99
IUPAC Name2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine
SMILESNC1=CN=C(Oc2cccc(Cl)c2)S1(=O)=O
InChIInChI=1S/C9H7ClN2O3S/c10-6-2-1-3-7(4-6)15-9-12-5-8(11)16(9,13)14/h1-5H,11H2
InChIKeyDXZFFQUEVYBVOK-UHFFFAOYSA-N
XLogP1.26
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole 1,1-dioxide
CID 117188100
2-(3-chlorophenoxy)-1,3-thiazol-4-amine
CID 117189228
6-(3-chlorophenoxy)pyrimidin-4-amine
CID 80869440
5-chloro-2-(3-chlorophenoxy)pyrimidine
CID 13336560
2-amino-4-(3-chlorophenoxy)benzenesulfonamide
CID 79467084
3-(3-chlorophenoxy)-5-fluoroaniline
CID 80752304
3,6-dichloro-5-(3-chlorophenoxy)-1,2,4-triazine
CID 81037722
3-(3-chlorophenoxy)-5-methoxyaniline
CID 80748712
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
3,5-dichloro-2-(3-chlorophenoxy)pyridine
CID 91013057
5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine
CID 80869635
2-(3-chlorophenoxy)-4-fluoroaniline
CID 62378026

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine?
The IUPAC name of 2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine (CID 117190258) is 2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine is NC1=CN=C(Oc2cccc(Cl)c2)S1(=O)=O.
What is the InChIKey of 2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine?
The InChIKey is DXZFFQUEVYBVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3S/c10-6-2-1-3-7(4-6)15-9-12-5-8(11)16(9,13)14/h1-5H,11H2.
What are the key properties of 2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine?
2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine has a molecular weight of 258.69 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine is sourced from PubChem (CID 117190258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).