4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide

C16H17N5O2S — CID 119055253

IUPAC4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCn1cc(COc2ccccc2)nn1)Nc1nccs1
InChIInChI=1S/C16H17N5O2S/c22-15(18-16-17-8-10-24-16)7-4-9-21-11-13(19-20-21)12-23-14-5-2-1-3-6-14/h1-3,5-6,8,10-11H,4,7,9,12H2,(H,17,18,22)
InChIKeyHFTXWHZLBUHVGR-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.73
Rot. Bonds8

About 4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide

4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 119055253) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide
PubChem CID119055253
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCn1cc(COc2ccccc2)nn1)Nc1nccs1
InChIInChI=1S/C16H17N5O2S/c22-15(18-16-17-8-10-24-16)7-4-9-21-11-13(19-20-21)12-23-14-5-2-1-3-6-14/h1-3,5-6,8,10-11H,4,7,9,12H2,(H,17,18,22)
InChIKeyHFTXWHZLBUHVGR-UHFFFAOYSA-N
XLogP2.73
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055234
N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055260
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 100830214
N-butyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055237
4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 119055250
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 719768
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 17386462
N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
CID 23964431
4-(methylsulfonylmethyl)-1-(4-phenoxybutyl)triazole
CID 94945269
4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2679212
2-fluoro-4-[[(1R)-1-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6-[2-[4-(phenoxymethyl)triazol-1-yl]ethoxy]-3,4-dihydro-2H-isoquinolin-7-yl]oxy]benzoic acid
CID 134372448

Frequently Asked Questions

What is the IUPAC name of 4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide (CID 119055253) is 4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide is O=C(CCCn1cc(COc2ccccc2)nn1)Nc1nccs1.
What is the InChIKey of 4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is HFTXWHZLBUHVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-15(18-16-17-8-10-24-16)7-4-9-21-11-13(19-20-21)12-23-14-5-2-1-3-6-14/h1-3,5-6,8,10-11H,4,7,9,12H2,(H,17,18,22).
What are the key properties of 4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 343.41 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 119055253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).