N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide

C17H22N6O2S — CID 95706948

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
SMILESNc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccn2)cs1
InChIInChI=1S/C17H22N6O2S/c18-17-22-13(11-26-17)4-6-20-15(24)9-14-16(25)21-7-8-23(14)10-12-3-1-2-5-19-12/h1-3,5,11,14H,4,6-10H2,(H2,18,22)(H,20,24)(H,21,25)/t14-/m0/s1
InChIKeyLROXQFBRBYSOPJ-AWEZNQCLSA-N
MW374.47 g/mol
LogP0.17
Rot. Bonds7

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide (PubChem CID 95706948) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
PubChem CID95706948
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
SMILESNc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccn2)cs1
InChIInChI=1S/C17H22N6O2S/c18-17-22-13(11-26-17)4-6-20-15(24)9-14-16(25)21-7-8-23(14)10-12-3-1-2-5-19-12/h1-3,5,11,14H,4,6-10H2,(H2,18,22)(H,20,24)(H,21,25)/t14-/m0/s1
InChIKeyLROXQFBRBYSOPJ-AWEZNQCLSA-N
XLogP0.17
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95716955
2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 45224484
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 124854636
2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide
CID 126434045
2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 45193505
3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 45229335
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 26334660
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95718298
2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45192808
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 42308103
N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide
CID 95714500
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 126433486

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide (CID 95706948) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide is Nc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccn2)cs1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide?
The InChIKey is LROXQFBRBYSOPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N6O2S/c18-17-22-13(11-26-17)4-6-20-15(24)9-14-16(25)21-7-8-23(14)10-12-3-1-2-5-19-12/h1-3,5,11,14H,4,6-10H2,(H2,18,22)(H,20,24)(H,21,25)/t14-/m0/s1.
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 95706948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).