cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone

C17H28N4OS — CID 84595438

IUPACcyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
SMILESCC(NCCN1CCN(C(=O)C2CCCC2)CC1)c1nccs1
InChIInChI=1S/C17H28N4OS/c1-14(16-19-7-13-23-16)18-6-8-20-9-11-21(12-10-20)17(22)15-4-2-3-5-15/h7,13-15,18H,2-6,8-12H2,1H3
InChIKeySALNQONBEZVSPE-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.13
Rot. Bonds6

About cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone

cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone (PubChem CID 84595438) has the molecular formula C17H28N4OS and a molecular weight of 336.50 g/mol. Its IUPAC name is cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
PubChem CID84595438
Molecular FormulaC17H28N4OS
Molecular Weight336.50 g/mol
Exact Mass336.20
IUPAC Namecyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
SMILESCC(NCCN1CCN(C(=O)C2CCCC2)CC1)c1nccs1
InChIInChI=1S/C17H28N4OS/c1-14(16-19-7-13-23-16)18-6-8-20-9-11-21(12-10-20)17(22)15-4-2-3-5-15/h7,13-15,18H,2-6,8-12H2,1H3
InChIKeySALNQONBEZVSPE-UHFFFAOYSA-N
XLogP2.13
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
N-[(1S)-5-amino-1-(thiazole-2-carbonyl)pentyl]cyclopentanecarboxamide
CID 121250170
1-[1-(Cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 56781501
(2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
CID 70682948
(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
CID 70687195
Cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone
CID 84595435
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234598
(3R)-4,4,4-trichloro-N,3-dimethyl-N-[(2R,4R)-5,5,5-trichloro-4-methyl-1-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-2-yl]butanamide
CID 163191189
(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide
CID 75411824
3-sulfanyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide
CID 177680953
1-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 71683906

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone (CID 84595438) is cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone is CC(NCCN1CCN(C(=O)C2CCCC2)CC1)c1nccs1.
What is the InChIKey of cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone?
The InChIKey is SALNQONBEZVSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-14(16-19-7-13-23-16)18-6-8-20-9-11-21(12-10-20)17(22)15-4-2-3-5-15/h7,13-15,18H,2-6,8-12H2,1H3.
What are the key properties of cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone has a molecular weight of 336.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 84595438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).