N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide

C14H16N2OS — CID 142902094

IUPACN-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide
SMILESCC(=O)NCCCc1cccc(-c2nccs2)c1
InChIInChI=1S/C14H16N2OS/c1-11(17)15-7-3-5-12-4-2-6-13(10-12)14-16-8-9-18-14/h2,4,6,8-10H,3,5,7H2,1H3,(H,15,17)
InChIKeySGKHWFSQCVMRFQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.88
Rot. Bonds5

About N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide

N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide (PubChem CID 142902094) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide
PubChem CID142902094
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide
SMILESCC(=O)NCCCc1cccc(-c2nccs2)c1
InChIInChI=1S/C14H16N2OS/c1-11(17)15-7-3-5-12-4-2-6-13(10-12)14-16-8-9-18-14/h2,4,6,8-10H,3,5,7H2,1H3,(H,15,17)
InChIKeySGKHWFSQCVMRFQ-UHFFFAOYSA-N
XLogP2.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 144669416
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]ethanimidamide
CID 123946042
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
2,2-diphenyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 54774183
3-(3,5-dichlorophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90014455
N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372097
1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 54770856
N-butyl-4-(1,3-thiazol-2-yl)benzamide
CID 110690289
N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide
CID 118780626
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide?
The IUPAC name of N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide (CID 142902094) is N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide.
What is the SMILES notation for N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide?
The canonical SMILES for N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide is CC(=O)NCCCc1cccc(-c2nccs2)c1.
What is the InChIKey of N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide?
The InChIKey is SGKHWFSQCVMRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11(17)15-7-3-5-12-4-2-6-13(10-12)14-16-8-9-18-14/h2,4,6,8-10H,3,5,7H2,1H3,(H,15,17).
What are the key properties of N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide?
N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide has a molecular weight of 260.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide is sourced from PubChem (CID 142902094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).