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

C11H11ClN2OS — CID 82298972

IUPAC[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(COc2ccccc2Cl)s1
InChIInChI=1S/C11H11ClN2OS/c12-9-3-1-2-4-10(9)15-7-11-14-6-8(5-13)16-11/h1-4,6H,5,7,13H2
InChIKeyQQEPARIQRBTXRI-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.83
Rot. Bonds4

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

[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82298972) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is [2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82298972
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(COc2ccccc2Cl)s1
InChIInChI=1S/C11H11ClN2OS/c12-9-3-1-2-4-10(9)15-7-11-14-6-8(5-13)16-11/h1-4,6H,5,7,13H2
InChIKeyQQEPARIQRBTXRI-UHFFFAOYSA-N
XLogP2.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190967
[2-[(2-chlorophenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82429066
[2-[(2-chlorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440553
5-[(2-chlorophenoxy)methyl]-1,3-thiazole
CID 112644769
[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190879
2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 94686224
[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82806898
[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 95461249
2,5-bis(phenoxymethyl)-1,3-thiazole
CID 90704535
1-[2-[(2,4-dichlorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82190991
2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 94279929
[2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190907

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine (CID 82298972) is [2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine is NCc1cnc(COc2ccccc2Cl)s1.
What is the InChIKey of [2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is QQEPARIQRBTXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-9-3-1-2-4-10(9)15-7-11-14-6-8(5-13)16-11/h1-4,6H,5,7,13H2.
What are the key properties of [2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 254.74 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82298972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).