3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C14H15N7OS — CID 72938131

IUPAC3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1ncc(-c2cn(CCC(=O)Nc3nccs3)nn2)cn1
InChIInChI=1S/C14H15N7OS/c1-2-12-16-7-10(8-17-12)11-9-21(20-19-11)5-3-13(22)18-14-15-4-6-23-14/h4,6-9H,2-3,5H2,1H3,(H,15,18,22)
InChIKeyPIVYKSUQBWDOFP-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.78
Rot. Bonds6

About 3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide

3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 72938131) has the molecular formula C14H15N7OS and a molecular weight of 329.39 g/mol. Its IUPAC name is 3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID72938131
Molecular FormulaC14H15N7OS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1ncc(-c2cn(CCC(=O)Nc3nccs3)nn2)cn1
InChIInChI=1S/C14H15N7OS/c1-2-12-16-7-10(8-17-12)11-9-21(20-19-11)5-3-13(22)18-14-15-4-6-23-14/h4,6-9H,2-3,5H2,1H3,(H,15,18,22)
InChIKeyPIVYKSUQBWDOFP-UHFFFAOYSA-N
XLogP1.78
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-[(3R)-oxolan-3-yl]triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 97114618
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N,N'-bis(1,3-thiazol-2-yl)decanediamide
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4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 119055253
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CID 143608752
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 66193039
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
2-[4-(1,3-thiazol-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290806
3-[5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 2885999
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4033040
3-(4-hydroxypiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 86217821

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 72938131) is 3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide is CCc1ncc(-c2cn(CCC(=O)Nc3nccs3)nn2)cn1.
What is the InChIKey of 3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PIVYKSUQBWDOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7OS/c1-2-12-16-7-10(8-17-12)11-9-21(20-19-11)5-3-13(22)18-14-15-4-6-23-14/h4,6-9H,2-3,5H2,1H3,(H,15,18,22).
What are the key properties of 3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 329.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethylpyrimidin-5-yl)triazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 72938131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).