N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide

C15H17ClN2OS — CID 43319974

IUPACN-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C15H17ClN2OS/c1-2-18(10-12-6-4-3-5-7-12)15(19)8-14-17-13(9-16)11-20-14/h3-7,11H,2,8-10H2,1H3
InChIKeyGPALUSHVKGRQHZ-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.47
Rot. Bonds6

About N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide

N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 43319974) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID43319974
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C15H17ClN2OS/c1-2-18(10-12-6-4-3-5-7-12)15(19)8-14-17-13(9-16)11-20-14/h3-7,11H,2,8-10H2,1H3
InChIKeyGPALUSHVKGRQHZ-UHFFFAOYSA-N
XLogP3.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.47
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-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940536
2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 55650163
N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 82155194
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-bis(2-ethoxyethyl)acetamide
CID 82937845
N-benzyl-3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylpropan-1-amine
CID 43320380
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103190292
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 82155166
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]-N-prop-2-ynylacetamide
CID 48523916
N-benzyl-5-chloro-N-ethylpentanamide
CID 28727812
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide (CID 43319974) is N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)Cc1nc(CCl)cs1.
What is the InChIKey of N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is GPALUSHVKGRQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-2-18(10-12-6-4-3-5-7-12)15(19)8-14-17-13(9-16)11-20-14/h3-7,11H,2,8-10H2,1H3.
What are the key properties of N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide?
N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 308.83 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 43319974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).