N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C17H28N4OS — CID 56905883

IUPACN-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCN1CCC(N[C@@H]2CC[C@@H]2NC(=O)Cc2csc(C)n2)CC1
InChIInChI=1S/C17H28N4OS/c1-3-21-8-6-13(7-9-21)19-15-4-5-16(15)20-17(22)10-14-11-23-12(2)18-14/h11,13,15-16,19H,3-10H2,1-2H3,(H,20,22)/t15-,16+/m1/s1
InChIKeyYIDJQFPBFDJETE-CVEARBPZSA-N
MW336.51 g/mol
LogP1.72
Rot. Bonds6

About N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 56905883) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID56905883
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC NameN-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCN1CCC(N[C@@H]2CC[C@@H]2NC(=O)Cc2csc(C)n2)CC1
InChIInChI=1S/C17H28N4OS/c1-3-21-8-6-13(7-9-21)19-15-4-5-16(15)20-17(22)10-14-11-23-12(2)18-14/h11,13,15-16,19H,3-10H2,1-2H3,(H,20,22)/t15-,16+/m1/s1
InChIKeyYIDJQFPBFDJETE-CVEARBPZSA-N
XLogP1.72
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-isopropyl-1'-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-1,4'-bipiperidine-4-carboxamide
CID 16189152
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 16188670
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45887778
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031356
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47035836
N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 51099994
2-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 53531859
N-(1-acetylpiperidin-4-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 53554580
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 53557253
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 53568710
N-(1-cyanobutyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 53574570
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 53592083

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 56905883) is N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CCN1CCC(N[C@@H]2CC[C@@H]2NC(=O)Cc2csc(C)n2)CC1.
What is the InChIKey of N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YIDJQFPBFDJETE-CVEARBPZSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-3-21-8-6-13(7-9-21)19-15-4-5-16(15)20-17(22)10-14-11-23-12(2)18-14/h11,13,15-16,19H,3-10H2,1-2H3,(H,20,22)/t15-,16+/m1/s1.
What are the key properties of N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 336.51 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 56905883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).