5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine

C10H9ClN2OS — CID 117217070

IUPAC5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine
SMILESNc1cc(COc2cccc(Cl)c2)sn1
InChIInChI=1S/C10H9ClN2OS/c11-7-2-1-3-8(4-7)14-6-9-5-10(12)13-15-9/h1-5H,6H2,(H2,12,13)
InChIKeyWBWOLJGCRQWXCG-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.96
Rot. Bonds3

About 5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine

5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine (PubChem CID 117217070) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine
PubChem CID117217070
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine
SMILESNc1cc(COc2cccc(Cl)c2)sn1
InChIInChI=1S/C10H9ClN2OS/c11-7-2-1-3-8(4-7)14-6-9-5-10(12)13-15-9/h1-5H,6H2,(H2,12,13)
InChIKeyWBWOLJGCRQWXCG-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
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2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
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2-chloro-4-[(3-chlorophenoxy)methyl]aniline
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2-[(3-chlorophenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79998838
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972
[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
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1-(3-chlorophenoxy)propan-2-amine;hydrochloride
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1-(bromomethoxy)-3-chlorobenzene
CID 22961199

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine (CID 117217070) is 5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine is Nc1cc(COc2cccc(Cl)c2)sn1.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine?
The InChIKey is WBWOLJGCRQWXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-7-2-1-3-8(4-7)14-6-9-5-10(12)13-15-9/h1-5H,6H2,(H2,12,13).
What are the key properties of 5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine?
5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine has a molecular weight of 240.72 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine is sourced from PubChem (CID 117217070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).