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

C17H21N3O2S — CID 111544191

IUPACN-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc(CN2CCC(O)CC2)cs1)c1ccccc1
InChIInChI=1S/C17H21N3O2S/c21-15-6-8-20(9-7-15)11-14-12-23-16(19-14)10-18-17(22)13-4-2-1-3-5-13/h1-5,12,15,21H,6-11H2,(H,18,22)
InChIKeyKOAMERXSRSACLJ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.03
Rot. Bonds5

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

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 111544191) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID111544191
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc(CN2CCC(O)CC2)cs1)c1ccccc1
InChIInChI=1S/C17H21N3O2S/c21-15-6-8-20(9-7-15)11-14-12-23-16(19-14)10-18-17(22)13-4-2-1-3-5-13/h1-5,12,15,21H,6-11H2,(H,18,22)
InChIKeyKOAMERXSRSACLJ-UHFFFAOYSA-N
XLogP2.03
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 119918242
1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea
CID 110368636
methyl 2-[[2-(benzamidomethyl)-1,3-thiazol-4-yl]methyl-cyclopentylamino]acetate
CID 71849580
3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359916
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883
N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 126796449
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220
N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide
CID 18142784
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 111520282
2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 95899411
2-(benzamidomethyl)-1,3-thiazole-4-carboxylate
CID 7140214
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 45209965

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide (CID 111544191) is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide is O=C(NCc1nc(CN2CCC(O)CC2)cs1)c1ccccc1.
What is the InChIKey of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is KOAMERXSRSACLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-15-6-8-20(9-7-15)11-14-12-23-16(19-14)10-18-17(22)13-4-2-1-3-5-13/h1-5,12,15,21H,6-11H2,(H,18,22).
What are the key properties of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide?
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 331.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 111544191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).