(4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone

C11H17N3O2S — CID 107406650

IUPAC(4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H17N3O2S/c1-8-9(17-13-12-8)10(15)14-6-3-4-11(2,16)5-7-14/h16H,3-7H2,1-2H3
InChIKeyTVHWKTFKADZYKM-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.22
Rot. Bonds1

About (4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone

(4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 107406650) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID107406650
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H17N3O2S/c1-8-9(17-13-12-8)10(15)14-6-3-4-11(2,16)5-7-14/h16H,3-7H2,1-2H3
InChIKeyTVHWKTFKADZYKM-UHFFFAOYSA-N
XLogP1.22
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 80661773
[4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 60958310
3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one
CID 63606888
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
[4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 80678677
[4-(aminomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride
CID 127266388
[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 25305670
(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65244992
1-[5-[2-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]thiophen-2-yl]ethanone
CID 3868403
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992
6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
CID 107405954

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 107406650) is (4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of (4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is TVHWKTFKADZYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-9(17-13-12-8)10(15)14-6-3-4-11(2,16)5-7-14/h16H,3-7H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 255.34 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 107406650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).