N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C21H29N3OS — CID 52505352

IUPACN-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCCCCN1CCCC[C@H]1CNC(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H29N3OS/c1-2-3-12-24-13-8-7-11-19(24)15-22-20(25)14-18-16-26-21(23-18)17-9-5-4-6-10-17/h4-6,9-10,16,19H,2-3,7-8,11-15H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyCGADNZHJVCBUFX-IBGZPJMESA-N
MW371.55 g/mol
LogP4.12
Rot. Bonds8

About N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 52505352) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID52505352
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCCCCN1CCCC[C@H]1CNC(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H29N3OS/c1-2-3-12-24-13-8-7-11-19(24)15-22-20(25)14-18-16-26-21(23-18)17-9-5-4-6-10-17/h4-6,9-10,16,19H,2-3,7-8,11-15H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyCGADNZHJVCBUFX-IBGZPJMESA-N
XLogP4.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911461
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111038310
N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 30661838
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 55120129
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 72916172
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100516526
(2R)-1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 97145298
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51181873
2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 82032241
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 26392211
1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea
CID 124880993
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 106026146

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 52505352) is N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is CCCCN1CCCC[C@H]1CNC(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CGADNZHJVCBUFX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3OS/c1-2-3-12-24-13-8-7-11-19(24)15-22-20(25)14-18-16-26-21(23-18)17-9-5-4-6-10-17/h4-6,9-10,16,19H,2-3,7-8,11-15H2,1H3,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 371.55 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 52505352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).