N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide

C21H29N3O2S — CID 30185216

IUPACN-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)c(C)c1
InChIInChI=1S/C21H29N3O2S/c1-14-5-7-24(8-6-14)11-18-13-27-21(22-18)23-19(25)12-26-20-16(3)9-15(2)10-17(20)4/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,22,23,25)
InChIKeyWGROHPYRMQGUHW-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.32
Rot. Bonds6

About N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 30185216) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID30185216
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)c(C)c1
InChIInChI=1S/C21H29N3O2S/c1-14-5-7-24(8-6-14)11-18-13-27-21(22-18)23-19(25)12-26-20-16(3)9-15(2)10-17(20)4/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,22,23,25)
InChIKeyWGROHPYRMQGUHW-UHFFFAOYSA-N
XLogP4.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46493467
2-(2-cyanophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 30186109
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30186058
4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30185625
N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 26130484
N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 26130496
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30186300
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868762
(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 30185192
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 43004964
2-ethoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18143742
2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 71864106

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide (CID 30185216) is N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)c(C)c1.
What is the InChIKey of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is WGROHPYRMQGUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-14-5-7-24(8-6-14)11-18-13-27-21(22-18)23-19(25)12-26-20-16(3)9-15(2)10-17(20)4/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,22,23,25).
What are the key properties of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide?
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 387.55 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 30185216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).