2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone

C18H29N3O2S — CID 91368361

IUPAC2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2sc(NCC3CCCCC3)nc2O)CC1
InChIInChI=1S/C18H29N3O2S/c1-13-7-9-21(10-8-13)16(22)11-15-17(23)20-18(24-15)19-12-14-5-3-2-4-6-14/h13-14,23H,2-12H2,1H3,(H,19,20)
InChIKeyFTHOBGNGBGSZEV-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.64
Rot. Bonds5

About 2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 91368361) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID91368361
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2sc(NCC3CCCCC3)nc2O)CC1
InChIInChI=1S/C18H29N3O2S/c1-13-7-9-21(10-8-13)16(22)11-15-17(23)20-18(24-15)19-12-14-5-3-2-4-6-14/h13-14,23H,2-12H2,1H3,(H,19,20)
InChIKeyFTHOBGNGBGSZEV-UHFFFAOYSA-N
XLogP3.64
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-anilino-4-hydroxy-1,3-thiazol-5-yl)-1-(azepan-1-yl)ethanone
CID 90931288
2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423521
2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110849075
2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110680009
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369903
1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
methyl 4-chloro-2-[(4-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
CID 61372601
2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 28714175
ethyl 5-methyl-2-[(4-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526837
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648211

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 91368361) is 2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)Cc2sc(NCC3CCCCC3)nc2O)CC1.
What is the InChIKey of 2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is FTHOBGNGBGSZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-13-7-9-21(10-8-13)16(22)11-15-17(23)20-18(24-15)19-12-14-5-3-2-4-6-14/h13-14,23H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 351.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 91368361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).