2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide

C16H17N5OS — CID 122141831

IUPAC2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NCCCc1ncn[nH]1
InChIInChI=1S/C16H17N5OS/c22-15(17-8-4-7-14-18-11-19-21-14)9-13-10-23-16(20-13)12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-9H2,(H,17,22)(H,18,19,21)
InChIKeyMYTALNXFKYRWCW-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.22
Rot. Bonds7

About 2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide

2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (PubChem CID 122141831) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
PubChem CID122141831
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NCCCc1ncn[nH]1
InChIInChI=1S/C16H17N5OS/c22-15(17-8-4-7-14-18-11-19-21-14)9-13-10-23-16(20-13)12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-9H2,(H,17,22)(H,18,19,21)
InChIKeyMYTALNXFKYRWCW-UHFFFAOYSA-N
XLogP2.22
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51181873
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64546521
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55956493
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9490539
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
4-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 29135792
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51201922
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 82547964

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (CID 122141831) is 2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is O=C(Cc1csc(-c2ccccc2)n1)NCCCc1ncn[nH]1.
What is the InChIKey of 2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The InChIKey is MYTALNXFKYRWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c22-15(17-8-4-7-14-18-11-19-21-14)9-13-10-23-16(20-13)12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-9H2,(H,17,22)(H,18,19,21).
What are the key properties of 2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-thiazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is sourced from PubChem (CID 122141831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).