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

C14H15ClN2OS — CID 110679631

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide
SMILESCc1ncsc1CC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2OS/c1-10-13(19-9-17-10)8-14(18)16-7-6-11-2-4-12(15)5-3-11/h2-5,9H,6-8H2,1H3,(H,16,18)
InChIKeyKVWWNXKICPTKHU-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.01
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide (PubChem CID 110679631) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide
PubChem CID110679631
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide
SMILESCc1ncsc1CC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2OS/c1-10-13(19-9-17-10)8-14(18)16-7-6-11-2-4-12(15)5-3-11/h2-5,9H,6-8H2,1H3,(H,16,18)
InChIKeyKVWWNXKICPTKHU-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718404
2-(4-methyl-1,3-thiazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110679612
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328955
N-[2-(4-chlorophenyl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853491
2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid
CID 12933946
N-[2-(4-chlorophenyl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950837
1-(4-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718503
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679697
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide (CID 110679631) is N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide is Cc1ncsc1CC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is KVWWNXKICPTKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-10-13(19-9-17-10)8-14(18)16-7-6-11-2-4-12(15)5-3-11/h2-5,9H,6-8H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 294.81 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 110679631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).