4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine

C11H10Cl2N2OS — CID 82022400

IUPAC4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine
SMILESCC(Oc1cc(Cl)ccc1Cl)c1csc(N)n1
InChIInChI=1S/C11H10Cl2N2OS/c1-6(9-5-17-11(14)15-9)16-10-4-7(12)2-3-8(10)13/h2-6H,1H3,(H2,14,15)
InChIKeySHGOVNDUABMBQD-UHFFFAOYSA-N
MW289.19 g/mol
LogP4.17
Rot. Bonds3

About 4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine

4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine (PubChem CID 82022400) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine
PubChem CID82022400
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine
SMILESCC(Oc1cc(Cl)ccc1Cl)c1csc(N)n1
InChIInChI=1S/C11H10Cl2N2OS/c1-6(9-5-17-11(14)15-9)16-10-4-7(12)2-3-8(10)13/h2-6H,1H3,(H2,14,15)
InChIKeySHGOVNDUABMBQD-UHFFFAOYSA-N
XLogP4.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
3-(2,5-dichlorophenoxy)pentanethioamide
CID 43175286
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
CID 130517444
4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 58125052
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-amine
CID 87544194
2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788
4-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine
CID 67256854

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine (CID 82022400) is 4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine is CC(Oc1cc(Cl)ccc1Cl)c1csc(N)n1.
What is the InChIKey of 4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine?
The InChIKey is SHGOVNDUABMBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c1-6(9-5-17-11(14)15-9)16-10-4-7(12)2-3-8(10)13/h2-6H,1H3,(H2,14,15).
What are the key properties of 4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine?
4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine has a molecular weight of 289.19 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dichlorophenoxy)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82022400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).