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

C13H15ClN2S — CID 82428640

IUPAC[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(Cc2cccc(Cl)c2)sc1CN
InChIInChI=1S/C13H15ClN2S/c1-2-11-12(8-15)17-13(16-11)7-9-4-3-5-10(14)6-9/h3-6H,2,7-8,15H2,1H3
InChIKeyASAIQMFZSOIUBT-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.41
Rot. Bonds4

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

[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82428640) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
PubChem CID82428640
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(Cc2cccc(Cl)c2)sc1CN
InChIInChI=1S/C13H15ClN2S/c1-2-11-12(8-15)17-13(16-11)7-9-4-3-5-10(14)6-9/h3-6H,2,7-8,15H2,1H3
InChIKeyASAIQMFZSOIUBT-UHFFFAOYSA-N
XLogP3.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82428633
1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82431677
[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 61280552
[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362062
[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440089
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66298678
N-[[2-[(3-chlorophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841219
[2-[(2-chlorophenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82429066
2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63386452
N-[[4-ethyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841471
[2-(4-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840990
[2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 107918051

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine (CID 82428640) is [2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine is CCc1nc(Cc2cccc(Cl)c2)sc1CN.
What is the InChIKey of [2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is ASAIQMFZSOIUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-2-11-12(8-15)17-13(16-11)7-9-4-3-5-10(14)6-9/h3-6H,2,7-8,15H2,1H3.
What are the key properties of [2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine?
[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 266.80 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82428640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).