N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine

C13H15ClN2S — CID 130569182

IUPACN-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCN(Cc1ccccc1)c1ncc(CCl)s1
InChIInChI=1S/C13H15ClN2S/c1-2-16(10-11-6-4-3-5-7-11)13-15-9-12(8-14)17-13/h3-7,9H,2,8,10H2,1H3
InChIKeyWISBMVMPJBEWFX-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.91
Rot. Bonds5

About N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine

N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 130569182) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID130569182
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC NameN-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCN(Cc1ccccc1)c1ncc(CCl)s1
InChIInChI=1S/C13H15ClN2S/c1-2-16(10-11-6-4-3-5-7-11)13-15-9-12(8-14)17-13/h3-7,9H,2,8,10H2,1H3
InChIKeyWISBMVMPJBEWFX-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-5-(chloromethyl)-N-methyl-1,3-thiazol-2-amine
CID 130569174
5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine
CID 55113901
5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62750354
N,N-diethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43761852
5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine
CID 96663376
N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62750736
5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
CID 18801628
2-[ethyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753136
N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine
CID 43769127
1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64542419
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 55113031

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine (CID 130569182) is N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine is CCN(Cc1ccccc1)c1ncc(CCl)s1.
What is the InChIKey of N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is WISBMVMPJBEWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-2-16(10-11-6-4-3-5-7-11)13-15-9-12(8-14)17-13/h3-7,9H,2,8,10H2,1H3.
What are the key properties of N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine?
N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 266.80 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 130569182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).