N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C14H21N3O2S — CID 111336050

IUPACN-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CN2CCC(O)CC2)cs1)C1CC1
InChIInChI=1S/C14H21N3O2S/c1-10(18)17(12-2-3-12)14-15-11(9-20-14)8-16-6-4-13(19)5-7-16/h9,12-13,19H,2-8H2,1H3
InChIKeyZTHLYDXGSAYLDX-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.62
Rot. Bonds4

About N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 111336050) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID111336050
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CN2CCC(O)CC2)cs1)C1CC1
InChIInChI=1S/C14H21N3O2S/c1-10(18)17(12-2-3-12)14-15-11(9-20-14)8-16-6-4-13(19)5-7-16/h9,12-13,19H,2-8H2,1H3
InChIKeyZTHLYDXGSAYLDX-UHFFFAOYSA-N
XLogP1.62
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 111442466
N-cyclopropyl-N-[4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 120906536
N-cyclopropyl-N-[4-[(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 136537355
N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95769661
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
N-cyclopropyl-N-[4-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 75514605
N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43556565
2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide
CID 126803496
N-cyclopropyl-N-[4-[(4-phenylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 146144310
N-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106672998
N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 71915898
N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 111579313

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 111336050) is N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(CN2CCC(O)CC2)cs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZTHLYDXGSAYLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(18)17(12-2-3-12)14-15-11(9-20-14)8-16-6-4-13(19)5-7-16/h9,12-13,19H,2-8H2,1H3.
What are the key properties of N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 111336050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).