N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide

C13H14ClN3OS — CID 110694067

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
SMILESO=C(CNc1nccs1)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3OS/c14-11-3-1-2-10(8-11)4-5-15-12(18)9-17-13-16-6-7-19-13/h1-3,6-8H,4-5,9H2,(H,15,18)(H,16,17)
InChIKeyZUCBPAISTDPZAB-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.57
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide

N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide (PubChem CID 110694067) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
PubChem CID110694067
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
SMILESO=C(CNc1nccs1)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3OS/c14-11-3-1-2-10(8-11)4-5-15-12(18)9-17-13-16-6-7-19-13/h1-3,6-8H,4-5,9H2,(H,15,18)(H,16,17)
InChIKeyZUCBPAISTDPZAB-UHFFFAOYSA-N
XLogP2.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
CID 109006882
N-[2-(3-chlorophenyl)ethyl]-2-(2,6-dimethylanilino)acetamide
CID 32908644
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide
CID 109006812
2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 109006850
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-[2-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 8806652
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide (CID 110694067) is N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide is O=C(CNc1nccs1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide?
The InChIKey is ZUCBPAISTDPZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c14-11-3-1-2-10(8-11)4-5-15-12(18)9-17-13-16-6-7-19-13/h1-3,6-8H,4-5,9H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide has a molecular weight of 295.80 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide is sourced from PubChem (CID 110694067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).