2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone

C10H13N5OS — CID 107063006

IUPAC2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)Cc1cn(C)nn1
InChIInChI=1S/C10H13N5OS/c1-3-4-8-10(17-14-12-8)9(16)5-7-6-15(2)13-11-7/h6H,3-5H2,1-2H3
InChIKeyJIMAFUHROILKHB-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.04
Rot. Bonds5

About 2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone

2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone (PubChem CID 107063006) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
PubChem CID107063006
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)Cc1cn(C)nn1
InChIInChI=1S/C10H13N5OS/c1-3-4-8-10(17-14-12-8)9(16)5-7-6-15(2)13-11-7/h6H,3-5H2,1-2H3
InChIKeyJIMAFUHROILKHB-UHFFFAOYSA-N
XLogP1.04
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062722
1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062904
2-(1-methyltriazol-4-yl)-1-(thiadiazol-4-yl)ethanone
CID 107062878
1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063008
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
3-amino-3-methyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061890
ethane;1-methyl-4-propyltriazole
CID 168923376
1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063130
2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105092769
2-(1-methyltriazol-4-yl)-1-phenylethanone
CID 107046867
2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105118151
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone
CID 105110575

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone (CID 107063006) is 2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone is CCCc1nnsc1C(=O)Cc1cn(C)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The InChIKey is JIMAFUHROILKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-3-4-8-10(17-14-12-8)9(16)5-7-6-15(2)13-11-7/h6H,3-5H2,1-2H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone has a molecular weight of 251.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 107063006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).