azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone

C12H18N2OS — CID 71936788

IUPACazocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCCCCC2)cs1
InChIInChI=1S/C12H18N2OS/c1-10-13-11(9-16-10)12(15)14-7-5-3-2-4-6-8-14/h9H,2-8H2,1H3
InChIKeyJFFHXLFNOSASRT-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.86
Rot. Bonds1

About azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone

azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 71936788) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID71936788
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Nameazocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCCCCC2)cs1
InChIInChI=1S/C12H18N2OS/c1-10-13-11(9-16-10)12(15)14-7-5-3-2-4-6-8-14/h9H,2-8H2,1H3
InChIKeyJFFHXLFNOSASRT-UHFFFAOYSA-N
XLogP2.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(2-piperidin-1-ylmethyl-thiazol-4-yl)-methanone
CID 11573599
(4-Ethylpiperazin-1-yl)-(2-ethynyl-1,3-thiazol-4-yl)methanone
CID 168282839
1-[(2-Isopropyl-1,3-thiazol-4-yl)carbonyl]-4-azepanamine
CID 56908129
Methyl 4-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-1-piperazinecarboxylate
CID 72937370
2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide
CID 51086683
N-[(1S*,2R*)-2-(cyclooctylamino)cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 56898589
2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 84583503
[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 164642437
N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide
CID 123730947
[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone
CID 159020339
Piperidin-1-yl-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 175796344
2-bromo-N-heptyl-1,3-thiazole-4-carboxamide
CID 135076248

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone (CID 71936788) is azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCCCCCC2)cs1.
What is the InChIKey of azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is JFFHXLFNOSASRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10-13-11(9-16-10)12(15)14-7-5-3-2-4-6-8-14/h9H,2-8H2,1H3.
What are the key properties of azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone?
azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 238.36 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 71936788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).