1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one

C13H20N2OS — CID 116575387

IUPAC1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCNC1(CC(=O)Cc2nccs2)CCCCC1
InChIInChI=1S/C13H20N2OS/c1-14-13(5-3-2-4-6-13)10-11(16)9-12-15-7-8-17-12/h7-8,14H,2-6,9-10H2,1H3
InChIKeyAUUPMNCOXOOXAZ-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.57
Rot. Bonds5

About 1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one

1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 116575387) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID116575387
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCNC1(CC(=O)Cc2nccs2)CCCCC1
InChIInChI=1S/C13H20N2OS/c1-14-13(5-3-2-4-6-13)10-11(16)9-12-15-7-8-17-12/h7-8,14H,2-6,9-10H2,1H3
InChIKeyAUUPMNCOXOOXAZ-UHFFFAOYSA-N
XLogP2.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116550466
1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116706920
1-(1,3-thiazol-2-yl)pentan-2-one
CID 63199328
6,6-dimethyl-1-(1,3-thiazol-2-yl)heptane-2,4-dione
CID 58474334
1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one
CID 105118060
1-(2,5-difluorophenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575381
1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 103450798
1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 82238390
1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575344
1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 105376593
1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116568006
1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79825005

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 116575387) is 1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one is CNC1(CC(=O)Cc2nccs2)CCCCC1.
What is the InChIKey of 1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is AUUPMNCOXOOXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-14-13(5-3-2-4-6-13)10-11(16)9-12-15-7-8-17-12/h7-8,14H,2-6,9-10H2,1H3.
What are the key properties of 1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 252.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 116575387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).