cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone

C17H27N3OS — CID 84595435

IUPACcyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone
SMILESCC(NC1CCN(C(=O)C2CCCCC2)CC1)c1nccs1
InChIInChI=1S/C17H27N3OS/c1-13(16-18-9-12-22-16)19-15-7-10-20(11-8-15)17(21)14-5-3-2-4-6-14/h9,12-15,19H,2-8,10-11H2,1H3
InChIKeyNUQNVLPEALZUOC-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.37
Rot. Bonds4

About cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone

cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone (PubChem CID 84595435) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone
PubChem CID84595435
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Namecyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone
SMILESCC(NC1CCN(C(=O)C2CCCCC2)CC1)c1nccs1
InChIInChI=1S/C17H27N3OS/c1-13(16-18-9-12-22-16)19-15-7-10-20(11-8-15)17(21)14-5-3-2-4-6-14/h9,12-15,19H,2-8,10-11H2,1H3
InChIKeyNUQNVLPEALZUOC-UHFFFAOYSA-N
XLogP3.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 10245529
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
CID 44453458
(S)-N-((S)-6-amino-1-oxo-1-(thiazol-2-yl)hexan-2-yl)-1-((R)-2-amino-3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide
CID 10863550
2-Amino-N-{[5-amino-1-(thiazole-2-carbonyl)-pentylcarbamoyl]-methyl}-3-cyclohexyl-N-cyclopropyl-propionamide
CID 10917579
((R)-2-Cyclohexyl-1-{methyl-[(2-oxo-1-piperidin-4-ylmethyl-2-thiazol-2-yl-ethylcarbamoyl)-methyl]-carbamoyl}-ethylamino)-acetic acid
CID 44273614
N-[(R)-4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-[2-oxo-3-(2-piperidin-4-yl-ethyl)-piperidin-1-yl]-acetamide
CID 44376385
(2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 70685028
(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 70687196
(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
CID 70687201
(2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
CID 70697566
((R)-2-Cyclohexyl-1-{[(2-oxo-1-piperidin-4-ylmethyl-2-thiazol-2-yl-ethylcarbamoyl)-methyl]-carbamoyl}-ethylamino)-acetic acid
CID 44273901
1-[1-(Cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 56781501

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone (CID 84595435) is cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone is CC(NC1CCN(C(=O)C2CCCCC2)CC1)c1nccs1.
What is the InChIKey of cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone?
The InChIKey is NUQNVLPEALZUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-13(16-18-9-12-22-16)19-15-7-10-20(11-8-15)17(21)14-5-3-2-4-6-14/h9,12-15,19H,2-8,10-11H2,1H3.
What are the key properties of cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone?
cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone has a molecular weight of 321.49 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 84595435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).