[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine

C12H13ClN2OS — CID 82134233

IUPAC[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(COc2cccc(Cl)c2)sc1CN
InChIInChI=1S/C12H13ClN2OS/c1-8-11(6-14)17-12(15-8)7-16-10-4-2-3-9(13)5-10/h2-5H,6-7,14H2,1H3
InChIKeyCMVQZSOZFOEWDX-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.14
Rot. Bonds4

About [2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine

[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82134233) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is [2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID82134233
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(COc2cccc(Cl)c2)sc1CN
InChIInChI=1S/C12H13ClN2OS/c1-8-11(6-14)17-12(15-8)7-16-10-4-2-3-9(13)5-10/h2-5H,6-7,14H2,1H3
InChIKeyCMVQZSOZFOEWDX-UHFFFAOYSA-N
XLogP3.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133378
[2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82431984
[4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 28813835
2-[2-[(3-chlorophenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82434282
[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729482
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82440577
[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436608
2-[(3-chlorophenoxy)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82434280
[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436502
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193630
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine (CID 82134233) is [2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine is Cc1nc(COc2cccc(Cl)c2)sc1CN.
What is the InChIKey of [2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is CMVQZSOZFOEWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-8-11(6-14)17-12(15-8)7-16-10-4-2-3-9(13)5-10/h2-5H,6-7,14H2,1H3.
What are the key properties of [2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine?
[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 268.77 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82134233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).