3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide

C17H28N4OS — CID 120911386

IUPAC3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1Cc1cnc(C2CCC2)s1
InChIInChI=1S/C17H28N4OS/c18-8-7-16(22)19-10-14-6-1-2-9-21(14)12-15-11-20-17(23-15)13-4-3-5-13/h11,13-14H,1-10,12,18H2,(H,19,22)
InChIKeyYUFRVYVTPQLELK-UHFFFAOYSA-N
MW336.51 g/mol
LogP2.23
Rot. Bonds7

About 3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120911386) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is 3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide
PubChem CID120911386
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1Cc1cnc(C2CCC2)s1
InChIInChI=1S/C17H28N4OS/c18-8-7-16(22)19-10-14-6-1-2-9-21(14)12-15-11-20-17(23-15)13-4-3-5-13/h11,13-14H,1-10,12,18H2,(H,19,22)
InChIKeyYUFRVYVTPQLELK-UHFFFAOYSA-N
XLogP2.23
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide with MolForge

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Related Compounds

3-amino-N-[[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911528
3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911203
3-amino-N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911016
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
3-amino-N-[[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911113
3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911161
3-amino-N-[[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581407
3-amino-N-[[1-[(3-chloro-2-pyridinyl)methyl]piperidin-2-yl]methyl]propanamide
CID 166247213
3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911593
3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120967146
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide (CID 120911386) is 3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1Cc1cnc(C2CCC2)s1.
What is the InChIKey of 3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is YUFRVYVTPQLELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c18-8-7-16(22)19-10-14-6-1-2-9-21(14)12-15-11-20-17(23-15)13-4-3-5-13/h11,13-14H,1-10,12,18H2,(H,19,22).
What are the key properties of 3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 336.51 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120911386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).