2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide

C22H29ClN4O2S — CID 86936362

IUPAC2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCCc1nc(CN2CCC(CNC(=O)C(C)NC(=O)c3ccccc3Cl)CC2)cs1
InChIInChI=1S/C22H29ClN4O2S/c1-3-20-26-17(14-30-20)13-27-10-8-16(9-11-27)12-24-21(28)15(2)25-22(29)18-6-4-5-7-19(18)23/h4-7,14-16H,3,8-13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyGIYQIYLQCXTDHI-UHFFFAOYSA-N
MW449.02 g/mol
LogP3.51
Rot. Bonds8

About 2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 86936362) has the molecular formula C22H29ClN4O2S and a molecular weight of 449.02 g/mol. Its IUPAC name is 2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID86936362
Molecular FormulaC22H29ClN4O2S
Molecular Weight449.02 g/mol
Exact Mass448.17
IUPAC Name2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCCc1nc(CN2CCC(CNC(=O)C(C)NC(=O)c3ccccc3Cl)CC2)cs1
InChIInChI=1S/C22H29ClN4O2S/c1-3-20-26-17(14-30-20)13-27-10-8-16(9-11-27)12-24-21(28)15(2)25-22(29)18-6-4-5-7-19(18)23/h4-7,14-16H,3,8-13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyGIYQIYLQCXTDHI-UHFFFAOYSA-N
XLogP3.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.02
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
CID 508768
1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111766867
1-ethyl-3-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-[(2-fluorophenyl)methyl]guanidine
CID 111764639
1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111766952
N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51092774
N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 49056517
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111760267
1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111760266
6-ethyl-N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine
CID 133460671
2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 55337540
1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111768530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide (CID 86936362) is 2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide is CCc1nc(CN2CCC(CNC(=O)C(C)NC(=O)c3ccccc3Cl)CC2)cs1.
What is the InChIKey of 2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is GIYQIYLQCXTDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O2S/c1-3-20-26-17(14-30-20)13-27-10-8-16(9-11-27)12-24-21(28)15(2)25-22(29)18-6-4-5-7-19(18)23/h4-7,14-16H,3,8-13H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 449.02 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 86936362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).