N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide

C14H17N3OS — CID 110694015

IUPACN-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CNc1nccs1
InChIInChI=1S/C14H17N3OS/c1-2-17(11-12-6-4-3-5-7-12)13(18)10-16-14-15-8-9-19-14/h3-9H,2,10-11H2,1H3,(H,15,16)
InChIKeyVOVYBEXKWULCKJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.60
Rot. Bonds6

About N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide

N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide (PubChem CID 110694015) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide
PubChem CID110694015
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CNc1nccs1
InChIInChI=1S/C14H17N3OS/c1-2-17(11-12-6-4-3-5-7-12)13(18)10-16-14-15-8-9-19-14/h3-9H,2,10-11H2,1H3,(H,15,16)
InChIKeyVOVYBEXKWULCKJ-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694139
2-anilino-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 60962477
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046
N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
N-benzyl-N-ethyl-2-(2-phenoxyanilino)acetamide
CID 108999057
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
CID 47363759
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-ethylacetamide
CID 108994441

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide (CID 110694015) is N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide is CCN(Cc1ccccc1)C(=O)CNc1nccs1.
What is the InChIKey of N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide?
The InChIKey is VOVYBEXKWULCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-17(11-12-6-4-3-5-7-12)13(18)10-16-14-15-8-9-19-14/h3-9H,2,10-11H2,1H3,(H,15,16).
What are the key properties of N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide?
N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide is sourced from PubChem (CID 110694015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).