N-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide

C25H29N3O2S — CID 134805971

IUPACN-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3ccccc3OCc3ccccc3)s2)CC1
InChIInChI=1S/C25H29N3O2S/c1-19(29)27-25(2)12-14-28(15-13-25)17-21-16-26-24(31-21)22-10-6-7-11-23(22)30-18-20-8-4-3-5-9-20/h3-11,16H,12-15,17-18H2,1-2H3,(H,27,29)
InChIKeyWBFYTIVCLRBNKG-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.88
Rot. Bonds7

About N-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide

N-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 134805971) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
PubChem CID134805971
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC NameN-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3ccccc3OCc3ccccc3)s2)CC1
InChIInChI=1S/C25H29N3O2S/c1-19(29)27-25(2)12-14-28(15-13-25)17-21-16-26-24(31-21)22-10-6-7-11-23(22)30-18-20-8-4-3-5-9-20/h3-11,16H,12-15,17-18H2,1-2H3,(H,27,29)
InChIKeyWBFYTIVCLRBNKG-UHFFFAOYSA-N
XLogP4.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{4-[2-([1,3]thiazolo[5,4-C]pyridin-2-Yl)phenoxy]phenyl}acetamide
CID 121231474
2-{1-(4-Ethoxybenzyl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16191821
1-(2-(2-Ethoxyphenyl)-1-(thiazol-5-yl)ethyl)piperazine
CID 44414749
6-(2,6-Dimethoxyphenyl)-1-((2-phenylthiazol-5-yl)methyl)piperidin-2-one
CID 69082410
5-(2-Ethoxy-6-fluorophenyl)-3-methyl-1-(3-(5-methylthiazol-2-yl)benzyl)pyrrolidin-2-one
CID 69084410
N-(3-(2-(4-isopropoxyphenoxy)thiazol-5-yl)-1-phenylprop-2-ynyl)acetamide
CID 16110742
N-(4-(2-(2-((dimethylamino)methyl)-4-isobutoxyphenoxy)thiazol-5-yl)but-3-yn-2-yl)acetamide
CID 44431785
3-(1-{[2-(2-Methoxyphenyl)-1,3-thiazol-5-yl]methyl}-3-piperidinyl)propanamide
CID 56884337
(3S)-1-{[2-(2-Methoxyphenyl)-1,3-thiazol-5-YL]methyl}-N,N-dimethylazepan-3-amine
CID 70723775
7-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 84588988
(2S)-1-(methylamino)-3-[methyl-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]amino]propan-2-ol
CID 177382831
(2R)-1-(methylamino)-3-[methyl-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]amino]propan-2-ol
CID 177382832

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide (CID 134805971) is N-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1(C)CCN(Cc2cnc(-c3ccccc3OCc3ccccc3)s2)CC1.
What is the InChIKey of N-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is WBFYTIVCLRBNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-19(29)27-25(2)12-14-28(15-13-25)17-21-16-26-24(31-21)22-10-6-7-11-23(22)30-18-20-8-4-3-5-9-20/h3-11,16H,12-15,17-18H2,1-2H3,(H,27,29).
What are the key properties of N-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
N-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 435.59 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[[2-(2-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134805971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).