azocan-1-yl(1,3-thiazol-4-yl)methanone

C11H16N2OS — CID 62045313

IUPACazocan-1-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCCCCC1
InChIInChI=1S/C11H16N2OS/c14-11(10-8-15-9-12-10)13-6-4-2-1-3-5-7-13/h8-9H,1-7H2
InChIKeyLAUOYLQGROPSLU-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.55
Rot. Bonds1

About azocan-1-yl(1,3-thiazol-4-yl)methanone

azocan-1-yl(1,3-thiazol-4-yl)methanone (PubChem CID 62045313) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is azocan-1-yl(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl(1,3-thiazol-4-yl)methanone
PubChem CID62045313
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Nameazocan-1-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCCCCC1
InChIInChI=1S/C11H16N2OS/c14-11(10-8-15-9-12-10)13-6-4-2-1-3-5-7-13/h8-9H,1-7H2
InChIKeyLAUOYLQGROPSLU-UHFFFAOYSA-N
XLogP2.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63309923
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 73439865
pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95551648
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 55143433
N,N-dimethyl-2-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 63049420
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl(1,3-thiazol-4-yl)methanone?
The IUPAC name of azocan-1-yl(1,3-thiazol-4-yl)methanone (CID 62045313) is azocan-1-yl(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for azocan-1-yl(1,3-thiazol-4-yl)methanone?
The canonical SMILES for azocan-1-yl(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl(1,3-thiazol-4-yl)methanone?
The InChIKey is LAUOYLQGROPSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-11(10-8-15-9-12-10)13-6-4-2-1-3-5-7-13/h8-9H,1-7H2.
What are the key properties of azocan-1-yl(1,3-thiazol-4-yl)methanone?
azocan-1-yl(1,3-thiazol-4-yl)methanone has a molecular weight of 224.33 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 62045313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).