cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone

C13H20N2OS — CID 105125018

IUPACcycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)C1CCCCCC1
InChIInChI=1S/C13H20N2OS/c1-9(2)11-13(17-15-14-11)12(16)10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyCYLJHHSOHQBIPZ-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.81
Rot. Bonds3

About cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone

cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 105125018) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Namecycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID105125018
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Namecycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)C1CCCCCC1
InChIInChI=1S/C13H20N2OS/c1-9(2)11-13(17-15-14-11)12(16)10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyCYLJHHSOHQBIPZ-UHFFFAOYSA-N
XLogP3.81
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204623
N-(2-bromoethyl)-N-cyclohexyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 80658825
ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 115535606
1-(4-propan-2-ylthiadiazol-5-yl)prop-2-yn-1-one
CID 105108280
1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one
CID 79548585
cyclobutyl-(4-propylthiadiazol-5-yl)methanone
CID 105133689
cyclohexyl-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105100605
N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059620
N-(piperidin-2-ylmethyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide
CID 106626410
N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 106627200
cyclopentyl-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105133985
2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105107368

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 105125018) is cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone is CC(C)c1nnsc1C(=O)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is CYLJHHSOHQBIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)11-13(17-15-14-11)12(16)10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone?
cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 252.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105125018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).