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

C14H16ClN3O2S — CID 43376685

IUPACN-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide
SMILESCc1ncsc1CCOCC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-9-13(21-8-17-9)4-5-20-7-14(19)18-12-6-10(16)2-3-11(12)15/h2-3,6,8H,4-5,7,16H2,1H3,(H,18,19)
InChIKeyNQLQCOFWGQIXCR-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.88
Rot. Bonds6

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

N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide (PubChem CID 43376685) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide
PubChem CID43376685
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide
SMILESCc1ncsc1CCOCC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-9-13(21-8-17-9)4-5-20-7-14(19)18-12-6-10(16)2-3-11(12)15/h2-3,6,8H,4-5,7,16H2,1H3,(H,18,19)
InChIKeyNQLQCOFWGQIXCR-UHFFFAOYSA-N
XLogP2.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide
CID 29036846
N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide
CID 43376858
1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62030972
N-(5-amino-2-chlorophenyl)-2-(4-chlorophenoxy)acetamide
CID 28867019
1-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62029259
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline
CID 60790887
N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
CID 60999928
N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 43376874
N-(5-amino-2-chlorophenyl)-2-(4-methylphenyl)acetamide
CID 43548738
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
CID 60999929
1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62031543

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide (CID 43376685) is N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide is Cc1ncsc1CCOCC(=O)Nc1cc(N)ccc1Cl.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide?
The InChIKey is NQLQCOFWGQIXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-9-13(21-8-17-9)4-5-20-7-14(19)18-12-6-10(16)2-3-11(12)15/h2-3,6,8H,4-5,7,16H2,1H3,(H,18,19).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide?
N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide has a molecular weight of 325.82 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide is sourced from PubChem (CID 43376685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).