N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C21H29N3OS — CID 97445309

IUPACN-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC[C@@H](c2ccccc2C)N2CCC(C)CC2)cs1
InChIInChI=1S/C21H29N3OS/c1-15-8-10-24(11-9-15)20(19-7-5-4-6-16(19)2)13-22-21(25)12-18-14-26-17(3)23-18/h4-7,14-15,20H,8-13H2,1-3H3,(H,22,25)/t20-/m0/s1
InChIKeyKINYXHGASTYGRA-FQEVSTJZSA-N
MW371.55 g/mol
LogP3.89
Rot. Bonds6

About N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 97445309) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID97445309
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC[C@@H](c2ccccc2C)N2CCC(C)CC2)cs1
InChIInChI=1S/C21H29N3OS/c1-15-8-10-24(11-9-15)20(19-7-5-4-6-16(19)2)13-22-21(25)12-18-14-26-17(3)23-18/h4-7,14-15,20H,8-13H2,1-3H3,(H,22,25)/t20-/m0/s1
InChIKeyKINYXHGASTYGRA-FQEVSTJZSA-N
XLogP3.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17496137
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95237805
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 52516283
N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110312824
1-methyl-3-[(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(1,2-oxazol-3-ylmethyl)urea
CID 125438725
N-[(2-methylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70766840
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 51656542
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 45155822
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112809765
N-(2,2-dimethoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463239

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 97445309) is N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NC[C@@H](c2ccccc2C)N2CCC(C)CC2)cs1.
What is the InChIKey of N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KINYXHGASTYGRA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-15-8-10-24(11-9-15)20(19-7-5-4-6-16(19)2)13-22-21(25)12-18-14-26-17(3)23-18/h4-7,14-15,20H,8-13H2,1-3H3,(H,22,25)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 371.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 97445309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).